2-[4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]phenyl]propan-1-amine

C18H29N3 — CID 105347939

IUPAC2-[4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]phenyl]propan-1-amine
SMILESCC(CN)c1ccc(CN2CCC3CCC(C2)N3C)cc1
InChIInChI=1S/C18H29N3/c1-14(11-19)16-5-3-15(4-6-16)12-21-10-9-17-7-8-18(13-21)20(17)2/h3-6,14,17-18H,7-13,19H2,1-2H3
InChIKeyQSJUAVKXQOZKSR-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.42
Rot. Bonds4

About 2-[4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]phenyl]propan-1-amine

2-[4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]phenyl]propan-1-amine (PubChem CID 105347939) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 2-[4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]phenyl]propan-1-amine.

Molecular Properties

Compound Name2-[4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]phenyl]propan-1-amine
PubChem CID105347939
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name2-[4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]phenyl]propan-1-amine
SMILESCC(CN)c1ccc(CN2CCC3CCC(C2)N3C)cc1
InChIInChI=1S/C18H29N3/c1-14(11-19)16-5-3-15(4-6-16)12-21-10-9-17-7-8-18(13-21)20(17)2/h3-6,14,17-18H,7-13,19H2,1-2H3
InChIKeyQSJUAVKXQOZKSR-UHFFFAOYSA-N
XLogP2.42
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]phenyl]propan-1-amine with MolForge

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Related Compounds

2-[4-[(4-propylpiperidin-1-yl)methyl]phenyl]propan-1-amine
CID 105346383
4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]benzohydrazide
CID 79164962
4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]benzenecarboximidamide
CID 79175339
3-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]benzenecarbothioamide
CID 79174621
[3-fluoro-4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]phenyl]methanamine
CID 79175481
2-fluoro-5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]benzenecarbothioamide
CID 107879438
N-[[4-(1-aminopropan-2-yl)phenyl]methyl]-1-ethyl-N-methylpiperidin-4-amine
CID 105347432
3-(2,3-dihydro-1H-indol-5-ylmethyl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane
CID 79165389
3-benzyl-8-methyl-3,8-diazabicyclo[3.2.1]octane;dihydrochloride
CID 50896418
2-[4-[(3,3-dimethylpiperidin-1-yl)methyl]phenyl]propan-1-amine
CID 105347823
3-[4-(piperidin-1-ylmethyl)phenyl]butan-1-amine
CID 117368922
1-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)phenyl]ethanamine
CID 123984237

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]phenyl]propan-1-amine?
The IUPAC name of 2-[4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]phenyl]propan-1-amine (CID 105347939) is 2-[4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]phenyl]propan-1-amine.
What is the SMILES notation for 2-[4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]phenyl]propan-1-amine?
The canonical SMILES for 2-[4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]phenyl]propan-1-amine is CC(CN)c1ccc(CN2CCC3CCC(C2)N3C)cc1.
What is the InChIKey of 2-[4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]phenyl]propan-1-amine?
The InChIKey is QSJUAVKXQOZKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-14(11-19)16-5-3-15(4-6-16)12-21-10-9-17-7-8-18(13-21)20(17)2/h3-6,14,17-18H,7-13,19H2,1-2H3.
What are the key properties of 2-[4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]phenyl]propan-1-amine?
2-[4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]phenyl]propan-1-amine has a molecular weight of 287.45 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]phenyl]propan-1-amine is sourced from PubChem (CID 105347939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).