4a,5,6,7,8,8a-hexahydro-4H-naphthalen-1-imine

C10H15N — CID 90688400

IUPAC4a,5,6,7,8,8a-hexahydro-4H-naphthalen-1-imine
SMILES[H]/N=C1\C=CCC2CCCCC12
InChIInChI=1S/C10H15N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h3,7-9,11H,1-2,4-6H2/b11-10+
InChIKeyAECCONTYUOJCFL-ZHACJKMWSA-N
MW149.24 g/mol
LogP2.77
Rot. Bonds

About 4a,5,6,7,8,8a-hexahydro-4H-naphthalen-1-imine

4a,5,6,7,8,8a-hexahydro-4H-naphthalen-1-imine (PubChem CID 90688400) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 4a,5,6,7,8,8a-hexahydro-4H-naphthalen-1-imine.

Molecular Properties

Compound Name4a,5,6,7,8,8a-hexahydro-4H-naphthalen-1-imine
PubChem CID90688400
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name4a,5,6,7,8,8a-hexahydro-4H-naphthalen-1-imine
SMILES[H]/N=C1\C=CCC2CCCCC12
InChIInChI=1S/C10H15N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h3,7-9,11H,1-2,4-6H2/b11-10+
InChIKeyAECCONTYUOJCFL-ZHACJKMWSA-N
XLogP2.77
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-Cyclohexyl-imino-2-butene
CID 129765474
6-(2-Iminocyclohexyl)cyclohexa-2,4-dien-1-imine
CID 134859228
6,7,8,8a-tetrahydro-5H-naphthalen-1-imine
CID 22022783
3,4,4a,8a-tetrahydro-2H-naphthalen-1-ylidenehydrazine
CID 56607855
4,5-Dimethylidene-2,3,4a,8a-tetrahydronaphthalene-1,8-diimine
CID 57011589
3,4,4a,8a-tetrahydro-2H-naphthalen-1-imine
CID 70461624
N-(3,4,4a,5,6,8a-hexahydro-2H-naphthalen-1-ylidene)hydroxylamine
CID 88217790
4-[(Z)-but-2-enyl]cyclohexan-1-imine
CID 89040034
(4aR)-4a,5,6-trimethyl-5,6,7,8-tetrahydronaphthalen-2-imine
CID 89050075
4,5,6-Trimethylcyclohex-2-en-1-imine
CID 90968842
(4aR)-4a,5,6-trimethyl-3,4,5,6,7,8-hexahydronaphthalen-2-imine
CID 117615103
4,4a,5,8a-Tetrahydronaphthalene-1,8-diimine
CID 123300527

Frequently Asked Questions

What is the IUPAC name of 4a,5,6,7,8,8a-hexahydro-4H-naphthalen-1-imine?
The IUPAC name of 4a,5,6,7,8,8a-hexahydro-4H-naphthalen-1-imine (CID 90688400) is 4a,5,6,7,8,8a-hexahydro-4H-naphthalen-1-imine.
What is the SMILES notation for 4a,5,6,7,8,8a-hexahydro-4H-naphthalen-1-imine?
The canonical SMILES for 4a,5,6,7,8,8a-hexahydro-4H-naphthalen-1-imine is [H]/N=C1\C=CCC2CCCCC12.
What is the InChIKey of 4a,5,6,7,8,8a-hexahydro-4H-naphthalen-1-imine?
The InChIKey is AECCONTYUOJCFL-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H15N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h3,7-9,11H,1-2,4-6H2/b11-10+.
What are the key properties of 4a,5,6,7,8,8a-hexahydro-4H-naphthalen-1-imine?
4a,5,6,7,8,8a-hexahydro-4H-naphthalen-1-imine has a molecular weight of 149.24 g/mol, XLogP of 2.77, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,5,6,7,8,8a-hexahydro-4H-naphthalen-1-imine is sourced from PubChem (CID 90688400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).