N-[[4-(cyclohexen-1-yl)oxan-4-yl]methyl]-2-methylpropan-1-amine

C16H29NO — CID 116662380

IUPACN-[[4-(cyclohexen-1-yl)oxan-4-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1(C2=CCCCC2)CCOCC1
InChIInChI=1S/C16H29NO/c1-14(2)12-17-13-16(8-10-18-11-9-16)15-6-4-3-5-7-15/h6,14,17H,3-5,7-13H2,1-2H3
InChIKeyGFZRKQWYGMLANX-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.53
Rot. Bonds5

About N-[[4-(cyclohexen-1-yl)oxan-4-yl]methyl]-2-methylpropan-1-amine

N-[[4-(cyclohexen-1-yl)oxan-4-yl]methyl]-2-methylpropan-1-amine (PubChem CID 116662380) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is N-[[4-(cyclohexen-1-yl)oxan-4-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-(cyclohexen-1-yl)oxan-4-yl]methyl]-2-methylpropan-1-amine
PubChem CID116662380
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC NameN-[[4-(cyclohexen-1-yl)oxan-4-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1(C2=CCCCC2)CCOCC1
InChIInChI=1S/C16H29NO/c1-14(2)12-17-13-16(8-10-18-11-9-16)15-6-4-3-5-7-15/h6,14,17H,3-5,7-13H2,1-2H3
InChIKeyGFZRKQWYGMLANX-UHFFFAOYSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[[4-(cyclohexen-1-yl)oxan-4-yl]methyl]-2-methylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(5S)-4,5-dipropylcyclohex-3-en-1-yl]oxypiperidine
CID 68083442
3-[4-(2-aminoethyl)-4,5-dimethylcyclohexen-1-yl]-5-methoxy-N-methylpentan-1-amine
CID 71182686
N-methyl-3-[[(9Z,12Z)-octadeca-9,12-dienoxy]methyl]dodecan-1-amine
CID 87174254
3-(3,5-Diethyl-1-methylcyclohex-2-en-1-yl)-1-ethoxypropan-1-amine
CID 123165644
4-[[4-[4-(Methoxymethyl)oxan-4-yl]cyclohexa-1,3-dien-1-yl]methylidene]piperidine
CID 123735494
4-[(3S)-3-methyl-4-(2,3,3-trimethylbutan-2-yloxy)butyl]-1,2,3,6-tetrahydropyridine
CID 144988971
4-[2-[(2S,7R)-2,7-dimethyl-2,3,6,7-tetrahydrooxepin-4-yl]ethyl]-4-methylpiperidine
CID 156519250
(Z,3S)-N-methyl-3-[(6S)-6-methyloctan-4-yl]oxy-7-[(3S,4S)-3-methylpiperidin-4-yl]non-7-en-1-amine
CID 163970162
N-[2-[2-[(1R,5R)-3,5-dimethylcyclohex-2-en-1-yl]ethoxy]ethyl]butan-1-amine
CID 164031575
N-methyl-3-[[(Z)-octadec-9-enoxy]methyl]tridecan-1-amine
CID 170097284
5-(Oxan-4-yl)-1,2,3,4,7,8-hexahydroazocine
CID 173708062
N-(4-tert-butylcyclohex-3-en-1-yl)oxan-4-amine
CID 177265475

Frequently Asked Questions

What is the IUPAC name of N-[[4-(cyclohexen-1-yl)oxan-4-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-(cyclohexen-1-yl)oxan-4-yl]methyl]-2-methylpropan-1-amine (CID 116662380) is N-[[4-(cyclohexen-1-yl)oxan-4-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-(cyclohexen-1-yl)oxan-4-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-(cyclohexen-1-yl)oxan-4-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1(C2=CCCCC2)CCOCC1.
What is the InChIKey of N-[[4-(cyclohexen-1-yl)oxan-4-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is GFZRKQWYGMLANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-14(2)12-17-13-16(8-10-18-11-9-16)15-6-4-3-5-7-15/h6,14,17H,3-5,7-13H2,1-2H3.
What are the key properties of N-[[4-(cyclohexen-1-yl)oxan-4-yl]methyl]-2-methylpropan-1-amine?
N-[[4-(cyclohexen-1-yl)oxan-4-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 251.41 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(cyclohexen-1-yl)oxan-4-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 116662380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).