N-octan-2-ylspiro[4.5]decan-8-amine

C18H35N — CID 114817417

IUPACN-octan-2-ylspiro[4.5]decan-8-amine
SMILESCCCCCCC(C)NC1CCC2(CCCC2)CC1
InChIInChI=1S/C18H35N/c1-3-4-5-6-9-16(2)19-17-10-14-18(15-11-17)12-7-8-13-18/h16-17,19H,3-15H2,1-2H3
InChIKeyNHGVDVAKJZAAQY-UHFFFAOYSA-N
MW265.48 g/mol
LogP5.44
Rot. Bonds7

About N-octan-2-ylspiro[4.5]decan-8-amine

N-octan-2-ylspiro[4.5]decan-8-amine (PubChem CID 114817417) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is N-octan-2-ylspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-octan-2-ylspiro[4.5]decan-8-amine
PubChem CID114817417
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC NameN-octan-2-ylspiro[4.5]decan-8-amine
SMILESCCCCCCC(C)NC1CCC2(CCCC2)CC1
InChIInChI=1S/C18H35N/c1-3-4-5-6-9-16(2)19-17-10-14-18(15-11-17)12-7-8-13-18/h16-17,19H,3-15H2,1-2H3
InChIKeyNHGVDVAKJZAAQY-UHFFFAOYSA-N
XLogP5.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.48
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-N-methylcyclohexan-1-amine
CID 15921596
4-tert-butyl-N-propan-2-ylcyclohexan-1-amine
CID 9120262
N,4,4-trimethylcyclohexan-1-amine
CID 550846
N-methylspiro[2.5]octan-6-amine
CID 68704589
(3S)-3-methyl-2-azaspiro[4.5]decane
CID 11593464
(3S)-3-methyl-2-azaspiro(4.5)decane hydrochloride
CID 154577147
3-Methyl-2-azaspiro[4.5]decane
CID 10888116
3-Ethyl-2-azaspiro[4.5]decane
CID 24822884
Cyclohexanemethanamine, alpha-methyl-N-octyl-, (R)-
CID 81384579
N-cyclohexyl-4,4-dimethylcyclohexan-1-amine
CID 64415665
14,14-Dimethyl-16-azabicyclo[10.3.1]hexadecane
CID 15581289
N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 80227203

Frequently Asked Questions

What is the IUPAC name of N-octan-2-ylspiro[4.5]decan-8-amine?
The IUPAC name of N-octan-2-ylspiro[4.5]decan-8-amine (CID 114817417) is N-octan-2-ylspiro[4.5]decan-8-amine.
What is the SMILES notation for N-octan-2-ylspiro[4.5]decan-8-amine?
The canonical SMILES for N-octan-2-ylspiro[4.5]decan-8-amine is CCCCCCC(C)NC1CCC2(CCCC2)CC1.
What is the InChIKey of N-octan-2-ylspiro[4.5]decan-8-amine?
The InChIKey is NHGVDVAKJZAAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N/c1-3-4-5-6-9-16(2)19-17-10-14-18(15-11-17)12-7-8-13-18/h16-17,19H,3-15H2,1-2H3.
What are the key properties of N-octan-2-ylspiro[4.5]decan-8-amine?
N-octan-2-ylspiro[4.5]decan-8-amine has a molecular weight of 265.48 g/mol, XLogP of 5.44, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-octan-2-ylspiro[4.5]decan-8-amine is sourced from PubChem (CID 114817417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).