N-[[2-(cyclohexen-1-yl)spiro[3.4]octan-2-yl]methyl]propan-2-amine

C18H31N — CID 116662298

IUPACN-[[2-(cyclohexen-1-yl)spiro[3.4]octan-2-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(C2=CCCCC2)CC2(CCCC2)C1
InChIInChI=1S/C18H31N/c1-15(2)19-14-18(16-8-4-3-5-9-16)12-17(13-18)10-6-7-11-17/h8,15,19H,3-7,9-14H2,1-2H3
InChIKeyWYZGMEIOHSVILO-UHFFFAOYSA-N
MW261.45 g/mol
LogP4.83
Rot. Bonds4

About N-[[2-(cyclohexen-1-yl)spiro[3.4]octan-2-yl]methyl]propan-2-amine

N-[[2-(cyclohexen-1-yl)spiro[3.4]octan-2-yl]methyl]propan-2-amine (PubChem CID 116662298) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is N-[[2-(cyclohexen-1-yl)spiro[3.4]octan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(cyclohexen-1-yl)spiro[3.4]octan-2-yl]methyl]propan-2-amine
PubChem CID116662298
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC NameN-[[2-(cyclohexen-1-yl)spiro[3.4]octan-2-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(C2=CCCCC2)CC2(CCCC2)C1
InChIInChI=1S/C18H31N/c1-15(2)19-14-18(16-8-4-3-5-9-16)12-17(13-18)10-6-7-11-17/h8,15,19H,3-7,9-14H2,1-2H3
InChIKeyWYZGMEIOHSVILO-UHFFFAOYSA-N
XLogP4.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.45
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(cyclohexen-1-yl)-7-oxaspiro[3.5]nonan-2-yl]methyl]propan-2-amine
CID 116662294
1-[2-(cyclohexen-1-yl)spiro[3.6]decan-2-yl]-N-methylmethanamine
CID 116662210
N-[[1-(cyclohexen-1-yl)cyclopentyl]methyl]ethanamine
CID 116662225
N-[[2-(4-methylphenyl)spiro[3.5]nonan-2-yl]methyl]propan-2-amine
CID 65006722
N-[(2-phenylspiro[3.3]heptan-2-yl)methyl]propan-2-amine
CID 65009225
N-[[2-(4-fluorophenyl)spiro[3.3]heptan-2-yl]methyl]propan-2-amine
CID 65009555
[1-(cyclohexen-1-yl)cyclohexyl]methanamine
CID 116659372
N-[(5-pyridin-4-ylspiro[2.3]hexan-5-yl)methyl]propan-2-amine
CID 80525541
2-(cyclohexen-1-yl)spiro[3.5]nonane-2-carbonitrile
CID 116659301
N-[[1-(cyclohexen-1-yl)-3-propan-2-ylcyclobutyl]methyl]-2-methylpropan-1-amine
CID 116662377
N-[[1-(2-bromophenyl)cyclopentyl]methyl]propan-2-amine
CID 62829689
N-[(1-phenylcyclohexyl)methyl]propan-2-amine
CID 62596577

Frequently Asked Questions

What is the IUPAC name of N-[[2-(cyclohexen-1-yl)spiro[3.4]octan-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(cyclohexen-1-yl)spiro[3.4]octan-2-yl]methyl]propan-2-amine (CID 116662298) is N-[[2-(cyclohexen-1-yl)spiro[3.4]octan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(cyclohexen-1-yl)spiro[3.4]octan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(cyclohexen-1-yl)spiro[3.4]octan-2-yl]methyl]propan-2-amine is CC(C)NCC1(C2=CCCCC2)CC2(CCCC2)C1.
What is the InChIKey of N-[[2-(cyclohexen-1-yl)spiro[3.4]octan-2-yl]methyl]propan-2-amine?
The InChIKey is WYZGMEIOHSVILO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-15(2)19-14-18(16-8-4-3-5-9-16)12-17(13-18)10-6-7-11-17/h8,15,19H,3-7,9-14H2,1-2H3.
What are the key properties of N-[[2-(cyclohexen-1-yl)spiro[3.4]octan-2-yl]methyl]propan-2-amine?
N-[[2-(cyclohexen-1-yl)spiro[3.4]octan-2-yl]methyl]propan-2-amine has a molecular weight of 261.45 g/mol, XLogP of 4.83, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(cyclohexen-1-yl)spiro[3.4]octan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 116662298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).