tetracyclo[18.4.0.02,7.08,13]tetracosa-1(24),5,8(13),20,22-pentaen-10-amine

C24H33N — CID 139470328

IUPACtetracyclo[18.4.0.02,7.08,13]tetracosa-1(24),5,8(13),20,22-pentaen-10-amine
SMILESNC1CCC2=C(C1)C1C=CCCC1c1ccccc1CCCCCC2
InChIInChI=1S/C24H33N/c25-20-16-15-19-10-4-2-1-3-9-18-11-5-6-12-21(18)22-13-7-8-14-23(22)24(19)17-20/h5-6,8,11-12,14,20,22-23H,1-4,7,9-10,13,15-17,25H2
InChIKeyVHBUILQYOYDVJF-UHFFFAOYSA-N
MW335.54 g/mol
LogP6.05
Rot. Bonds

About tetracyclo[18.4.0.02,7.08,13]tetracosa-1(24),5,8(13),20,22-pentaen-10-amine

tetracyclo[18.4.0.02,7.08,13]tetracosa-1(24),5,8(13),20,22-pentaen-10-amine (PubChem CID 139470328) has the molecular formula C24H33N and a molecular weight of 335.54 g/mol. Its IUPAC name is tetracyclo[18.4.0.02,7.08,13]tetracosa-1(24),5,8(13),20,22-pentaen-10-amine.

Molecular Properties

Compound Nametetracyclo[18.4.0.02,7.08,13]tetracosa-1(24),5,8(13),20,22-pentaen-10-amine
PubChem CID139470328
Molecular FormulaC24H33N
Molecular Weight335.54 g/mol
Exact Mass335.26
IUPAC Nametetracyclo[18.4.0.02,7.08,13]tetracosa-1(24),5,8(13),20,22-pentaen-10-amine
SMILESNC1CCC2=C(C1)C1C=CCCC1c1ccccc1CCCCCC2
InChIInChI=1S/C24H33N/c25-20-16-15-19-10-4-2-1-3-9-18-11-5-6-12-21(18)22-13-7-8-14-23(22)24(19)17-20/h5-6,8,11-12,14,20,22-23H,1-4,7,9-10,13,15-17,25H2
InChIKeyVHBUILQYOYDVJF-UHFFFAOYSA-N
XLogP6.05
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.54
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze tetracyclo[18.4.0.02,7.08,13]tetracosa-1(24),5,8(13),20,22-pentaen-10-amine with MolForge

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Related Compounds

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(6S)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-amine
CID 57377025
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CID 7000084
2,4a,9,9a-tetrahydro-1H-fluoren-9-amine
CID 19915411
2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane
CID 22102285
1,2,3,4-tetrahydronaphthalen-2-amine;trihydrochloride
CID 67686398
benzene;1,2,3,4-tetrahydronaphthalen-2-amine
CID 66647094
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CID 130614926
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CID 142874609

Frequently Asked Questions

What is the IUPAC name of tetracyclo[18.4.0.02,7.08,13]tetracosa-1(24),5,8(13),20,22-pentaen-10-amine?
The IUPAC name of tetracyclo[18.4.0.02,7.08,13]tetracosa-1(24),5,8(13),20,22-pentaen-10-amine (CID 139470328) is tetracyclo[18.4.0.02,7.08,13]tetracosa-1(24),5,8(13),20,22-pentaen-10-amine.
What is the SMILES notation for tetracyclo[18.4.0.02,7.08,13]tetracosa-1(24),5,8(13),20,22-pentaen-10-amine?
The canonical SMILES for tetracyclo[18.4.0.02,7.08,13]tetracosa-1(24),5,8(13),20,22-pentaen-10-amine is NC1CCC2=C(C1)C1C=CCCC1c1ccccc1CCCCCC2.
What is the InChIKey of tetracyclo[18.4.0.02,7.08,13]tetracosa-1(24),5,8(13),20,22-pentaen-10-amine?
The InChIKey is VHBUILQYOYDVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N/c25-20-16-15-19-10-4-2-1-3-9-18-11-5-6-12-21(18)22-13-7-8-14-23(22)24(19)17-20/h5-6,8,11-12,14,20,22-23H,1-4,7,9-10,13,15-17,25H2.
What are the key properties of tetracyclo[18.4.0.02,7.08,13]tetracosa-1(24),5,8(13),20,22-pentaen-10-amine?
tetracyclo[18.4.0.02,7.08,13]tetracosa-1(24),5,8(13),20,22-pentaen-10-amine has a molecular weight of 335.54 g/mol, XLogP of 6.05, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tetracyclo[18.4.0.02,7.08,13]tetracosa-1(24),5,8(13),20,22-pentaen-10-amine is sourced from PubChem (CID 139470328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).