3-methyl-N,1-bis(prop-2-enyl)cyclohexan-1-amine

C13H23N — CID 4712374

IUPAC3-methyl-N,1-bis(prop-2-enyl)cyclohexan-1-amine
SMILESC=CCNC1(CC=C)CCCC(C)C1
InChIInChI=1S/C13H23N/c1-4-8-13(14-10-5-2)9-6-7-12(3)11-13/h4-5,12,14H,1-2,6-11H2,3H3
InChIKeySPHXKRRTCKALHZ-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.29
Rot. Bonds5

About 3-methyl-N,1-bis(prop-2-enyl)cyclohexan-1-amine

3-methyl-N,1-bis(prop-2-enyl)cyclohexan-1-amine (PubChem CID 4712374) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 3-methyl-N,1-bis(prop-2-enyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-methyl-N,1-bis(prop-2-enyl)cyclohexan-1-amine
PubChem CID4712374
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name3-methyl-N,1-bis(prop-2-enyl)cyclohexan-1-amine
SMILESC=CCNC1(CC=C)CCCC(C)C1
InChIInChI=1S/C13H23N/c1-4-8-13(14-10-5-2)9-6-7-12(3)11-13/h4-5,12,14H,1-2,6-11H2,3H3
InChIKeySPHXKRRTCKALHZ-UHFFFAOYSA-N
XLogP3.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.29
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

1-(chloromethyl)-3-methyl-N-(3-methylbut-2-enyl)cyclohexan-1-amine
CID 107901067
1-(aminomethyl)-4-propan-2-yl-N-prop-2-enylcycloheptan-1-amine
CID 65383023
5-methyl-1-prop-2-enylcyclooctan-1-amine
CID 143705620
N-[1-(hydroxymethyl)-3-methylcyclohexyl]pent-4-enamide
CID 62678355
3-methyl-1-prop-2-enylcyclopentan-1-ol
CID 10034708
methyl 4-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-2-methylbut-2-enoate
CID 103248895
4-(aminomethyl)-2-methyl-N-prop-2-enyloxan-4-amine
CID 65384080
2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]acetic acid
CID 55209144
2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]acetonitrile
CID 62553552
[1-(2,2-dimethylpropylamino)-3-methylcyclohexyl]methanol
CID 62553342
1,2-dimethyl-1-prop-2-enylcyclopentane
CID 148975719
N-[1-(aminomethyl)-3-methylcyclohexyl]-N',N'-diethylethane-1,2-diamine
CID 65384408

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N,1-bis(prop-2-enyl)cyclohexan-1-amine?
The IUPAC name of 3-methyl-N,1-bis(prop-2-enyl)cyclohexan-1-amine (CID 4712374) is 3-methyl-N,1-bis(prop-2-enyl)cyclohexan-1-amine.
What is the SMILES notation for 3-methyl-N,1-bis(prop-2-enyl)cyclohexan-1-amine?
The canonical SMILES for 3-methyl-N,1-bis(prop-2-enyl)cyclohexan-1-amine is C=CCNC1(CC=C)CCCC(C)C1.
What is the InChIKey of 3-methyl-N,1-bis(prop-2-enyl)cyclohexan-1-amine?
The InChIKey is SPHXKRRTCKALHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-4-8-13(14-10-5-2)9-6-7-12(3)11-13/h4-5,12,14H,1-2,6-11H2,3H3.
What are the key properties of 3-methyl-N,1-bis(prop-2-enyl)cyclohexan-1-amine?
3-methyl-N,1-bis(prop-2-enyl)cyclohexan-1-amine has a molecular weight of 193.33 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N,1-bis(prop-2-enyl)cyclohexan-1-amine is sourced from PubChem (CID 4712374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).