N-[(4-prop-1-en-2-ylcyclohexyl)methyl]propan-2-amine

C13H25N — CID 145088274

IUPACN-[(4-prop-1-en-2-ylcyclohexyl)methyl]propan-2-amine
SMILESC=C(C)C1CCC(CNC(C)C)CC1
InChIInChI=1S/C13H25N/c1-10(2)13-7-5-12(6-8-13)9-14-11(3)4/h11-14H,1,5-9H2,2-4H3
InChIKeyWWNJNPAMNCXOEJ-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.37
Rot. Bonds4

About N-[(4-prop-1-en-2-ylcyclohexyl)methyl]propan-2-amine

N-[(4-prop-1-en-2-ylcyclohexyl)methyl]propan-2-amine (PubChem CID 145088274) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is N-[(4-prop-1-en-2-ylcyclohexyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(4-prop-1-en-2-ylcyclohexyl)methyl]propan-2-amine
PubChem CID145088274
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC NameN-[(4-prop-1-en-2-ylcyclohexyl)methyl]propan-2-amine
SMILESC=C(C)C1CCC(CNC(C)C)CC1
InChIInChI=1S/C13H25N/c1-10(2)13-7-5-12(6-8-13)9-14-11(3)4/h11-14H,1,5-9H2,2-4H3
InChIKeyWWNJNPAMNCXOEJ-UHFFFAOYSA-N
XLogP3.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.37
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-[(4-ethylcyclohexyl)methyl]propan-2-amine
CID 60972109
4-[(propan-2-ylamino)methyl]cyclohexan-1-amine
CID 18722066
3-[(propan-2-ylamino)methyl]cyclopentane-1-carboxylic acid
CID 105441708
N-[[1-(3-methylbut-3-enyl)piperidin-4-yl]methyl]propan-2-amine
CID 114476807
1-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
CID 66569294
N-[[1-(2-bromoprop-2-enyl)piperidin-4-yl]methyl]propan-2-amine
CID 63849110
ethane;1-[4-[(propan-2-ylamino)methyl]piperidin-1-yl]ethanone
CID 156795417
4-methyl-1-[4-[(propan-2-ylamino)methyl]cyclohexyl]pentan-2-one
CID 176823924
2-(cyclopropylmethylamino)propan-1-ol
CID 43560365
N-(cyclopropylmethyl)-4-methylpent-1-yn-3-amine
CID 130481299
N-[[1-(2-methylidenebutyl)piperidin-3-yl]methyl]propan-2-amine
CID 66043827
N-[4-[(propan-2-ylamino)methyl]cyclohexyl]methanesulfonamide
CID 59868028

Frequently Asked Questions

What is the IUPAC name of N-[(4-prop-1-en-2-ylcyclohexyl)methyl]propan-2-amine?
The IUPAC name of N-[(4-prop-1-en-2-ylcyclohexyl)methyl]propan-2-amine (CID 145088274) is N-[(4-prop-1-en-2-ylcyclohexyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(4-prop-1-en-2-ylcyclohexyl)methyl]propan-2-amine?
The canonical SMILES for N-[(4-prop-1-en-2-ylcyclohexyl)methyl]propan-2-amine is C=C(C)C1CCC(CNC(C)C)CC1.
What is the InChIKey of N-[(4-prop-1-en-2-ylcyclohexyl)methyl]propan-2-amine?
The InChIKey is WWNJNPAMNCXOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-10(2)13-7-5-12(6-8-13)9-14-11(3)4/h11-14H,1,5-9H2,2-4H3.
What are the key properties of N-[(4-prop-1-en-2-ylcyclohexyl)methyl]propan-2-amine?
N-[(4-prop-1-en-2-ylcyclohexyl)methyl]propan-2-amine has a molecular weight of 195.35 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-prop-1-en-2-ylcyclohexyl)methyl]propan-2-amine is sourced from PubChem (CID 145088274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).