4-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)butan-1-amine

C18H25N3 — CID 117455813

IUPAC4-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)butan-1-amine
SMILESCn1c2c(c3cc(CCCCN)ccc31)C1CCN2CC1
InChIInChI=1S/C18H25N3/c1-20-16-6-5-13(4-2-3-9-19)12-15(16)17-14-7-10-21(11-8-14)18(17)20/h5-6,12,14H,2-4,7-11,19H2,1H3
InChIKeyWCNYWPOSSLFVEK-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.16
Rot. Bonds4

About 4-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)butan-1-amine

4-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)butan-1-amine (PubChem CID 117455813) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 4-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)butan-1-amine.

Molecular Properties

Compound Name4-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)butan-1-amine
PubChem CID117455813
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name4-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)butan-1-amine
SMILESCn1c2c(c3cc(CCCCN)ccc31)C1CCN2CC1
InChIInChI=1S/C18H25N3/c1-20-16-6-5-13(4-2-3-9-19)12-15(16)17-14-7-10-21(11-8-14)18(17)20/h5-6,12,14H,2-4,7-11,19H2,1H3
InChIKeyWCNYWPOSSLFVEK-UHFFFAOYSA-N
XLogP3.16
TPSA34.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)butan-1-amine with MolForge

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Related Compounds

1-[(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)methyl]cyclopropan-1-ol
CID 117453952
(E)-3-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)prop-2-en-1-amine
CID 117422193
9-methyl-5-pyrrolidin-3-yl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene
CID 117451851
3-methyl-3-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)butanoic acid
CID 117497697
1-methyl-4-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)pyrazol-5-amine
CID 117492414
2-(3-cyclopropyl-1,5-dimethylindol-2-yl)ethanamine
CID 83918262
3-[3-(1-methylpiperidin-4-yl)phenyl]propan-1-amine
CID 117337018
(5-chloro-3-cyclopropyl-1-methylindol-2-yl)methanamine
CID 83918924
(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-7-yl)methanol
CID 117274366
4-[3-bromo-4-(1-methylazetidin-3-yl)phenyl]butan-1-amine
CID 117478707
3-[4-(1-methylpyrrolidin-3-yl)phenyl]propan-1-amine
CID 84786356
4-[4-(4-aminobutyl)phenyl]butan-1-amine
CID 13016028

Frequently Asked Questions

What is the IUPAC name of 4-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)butan-1-amine?
The IUPAC name of 4-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)butan-1-amine (CID 117455813) is 4-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)butan-1-amine.
What is the SMILES notation for 4-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)butan-1-amine?
The canonical SMILES for 4-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)butan-1-amine is Cn1c2c(c3cc(CCCCN)ccc31)C1CCN2CC1.
What is the InChIKey of 4-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)butan-1-amine?
The InChIKey is WCNYWPOSSLFVEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-20-16-6-5-13(4-2-3-9-19)12-15(16)17-14-7-10-21(11-8-14)18(17)20/h5-6,12,14H,2-4,7-11,19H2,1H3.
What are the key properties of 4-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)butan-1-amine?
4-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)butan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9-methyl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)butan-1-amine is sourced from PubChem (CID 117455813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).