N-methyl-1,2,3,3a,4,7a-hexahydroinden-5-imine

C10H15N — CID 123362281

IUPACN-methyl-1,2,3,3a,4,7a-hexahydroinden-5-imine
SMILESC/N=C1\C=CC2CCCC2C1
InChIInChI=1S/C10H15N/c1-11-10-6-5-8-3-2-4-9(8)7-10/h5-6,8-9H,2-4,7H2,1H3/b11-10+
InChIKeySOUCTSSMKBRWFH-ZHACJKMWSA-N
MW149.24 g/mol
LogP2.43
Rot. Bonds

About N-methyl-1,2,3,3a,4,7a-hexahydroinden-5-imine

N-methyl-1,2,3,3a,4,7a-hexahydroinden-5-imine (PubChem CID 123362281) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is N-methyl-1,2,3,3a,4,7a-hexahydroinden-5-imine.

Molecular Properties

Compound NameN-methyl-1,2,3,3a,4,7a-hexahydroinden-5-imine
PubChem CID123362281
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC NameN-methyl-1,2,3,3a,4,7a-hexahydroinden-5-imine
SMILESC/N=C1\C=CC2CCCC2C1
InChIInChI=1S/C10H15N/c1-11-10-6-5-8-3-2-4-9(8)7-10/h5-6,8-9H,2-4,7H2,1H3/b11-10+
InChIKeySOUCTSSMKBRWFH-ZHACJKMWSA-N
XLogP2.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(5R,6E)-6-[(7aR)-1,2,3,3a,4,7a-hexahydroinden-5-ylidene]-5-methylhexan-2-ol
CID 11492385
(3aR,4R,7aS)-4-acetyl-1,2,3,3a,4,7a-hexahydroinden-5-one
CID 138965004
1-(4-methyliminocyclohex-2-en-1-yl)ethanone
CID 91552461
(3R)-3-cyclohexylcycloheptene
CID 72711475
(3aS,7aS)-3a,4,5,6,7,7a-hexahydro-1H-indene
CID 12721347
(3aS,6aR)-1,3a,4,5,6,6a-hexahydropentalene-2-carboxamide
CID 130979837
3-(3-methoxycyclohexyl)cyclohexene
CID 89299803
2,3,3a,7a-tetrahydro-1H-indene
CID 12652500
tricyclo[11.3.0.05,9]hexadecane
CID 154595560
4-cyclobutyl-4,5-dihydro-1,2-thiazole
CID 141005106
N-(4-cyclohex-2-en-1-ylcyclohexylidene)hydroxylamine
CID 151535021
2-methylidene-1-propan-2-yl-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridine
CID 58170797

Frequently Asked Questions

What is the IUPAC name of N-methyl-1,2,3,3a,4,7a-hexahydroinden-5-imine?
The IUPAC name of N-methyl-1,2,3,3a,4,7a-hexahydroinden-5-imine (CID 123362281) is N-methyl-1,2,3,3a,4,7a-hexahydroinden-5-imine.
What is the SMILES notation for N-methyl-1,2,3,3a,4,7a-hexahydroinden-5-imine?
The canonical SMILES for N-methyl-1,2,3,3a,4,7a-hexahydroinden-5-imine is C/N=C1\C=CC2CCCC2C1.
What is the InChIKey of N-methyl-1,2,3,3a,4,7a-hexahydroinden-5-imine?
The InChIKey is SOUCTSSMKBRWFH-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H15N/c1-11-10-6-5-8-3-2-4-9(8)7-10/h5-6,8-9H,2-4,7H2,1H3/b11-10+.
What are the key properties of N-methyl-1,2,3,3a,4,7a-hexahydroinden-5-imine?
N-methyl-1,2,3,3a,4,7a-hexahydroinden-5-imine has a molecular weight of 149.24 g/mol, XLogP of 2.43, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,2,3,3a,4,7a-hexahydroinden-5-imine is sourced from PubChem (CID 123362281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).