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

C12H23N — CID 62139739

IUPACN-[(4-ethylcyclohexyl)methyl]prop-2-en-1-amine
SMILESC=CCNCC1CCC(CC)CC1
InChIInChI=1S/C12H23N/c1-3-9-13-10-12-7-5-11(4-2)6-8-12/h3,11-13H,1,4-10H2,2H3
InChIKeyKWIUBDHBCLAYMY-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.98
Rot. Bonds5

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

N-[(4-ethylcyclohexyl)methyl]prop-2-en-1-amine (PubChem CID 62139739) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N-[(4-ethylcyclohexyl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-[(4-ethylcyclohexyl)methyl]prop-2-en-1-amine
PubChem CID62139739
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN-[(4-ethylcyclohexyl)methyl]prop-2-en-1-amine
SMILESC=CCNCC1CCC(CC)CC1
InChIInChI=1S/C12H23N/c1-3-9-13-10-12-7-5-11(4-2)6-8-12/h3,11-13H,1,4-10H2,2H3
InChIKeyKWIUBDHBCLAYMY-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethenol;ethylcyclopropane
CID 18331953
N-(4-ethylcyclohexyl)-N-methyl-2-(prop-2-enylamino)acetamide
CID 79278136
N-[[3-[(prop-2-enylamino)methyl]cyclohexyl]methyl]prop-2-en-1-amine
CID 118013747
N-(cyclopropylmethyl)prop-2-en-1-amine;1-fluoro-4-methylbenzene
CID 142940150
[4-[[(4-ethylcyclohexyl)methylamino]methyl]cyclohexyl]methanamine
CID 134168481
N-[(4-ethylcyclohexyl)methyl]formamide
CID 64992922
N-[(4-ethylcyclohexyl)methyl]decan-1-amine
CID 63492900
2-bromo-N-[(4-ethylcyclohexyl)methyl]prop-2-en-1-amine
CID 60972483
but-1-ene;ethylcyclobutane;ethylcyclopropane;methane
CID 158958125
(2Z)-2-(1-chloroethenyl)-N-[(4-ethylcyclohexyl)methyl]penta-2,4-dien-1-amine
CID 142913118
ethane;1-(4-ethylcyclohexyl)-N-methylmethanamine
CID 166157734
azane;ethylcyclopropane
CID 20975579

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylcyclohexyl)methyl]prop-2-en-1-amine?
The IUPAC name of N-[(4-ethylcyclohexyl)methyl]prop-2-en-1-amine (CID 62139739) is N-[(4-ethylcyclohexyl)methyl]prop-2-en-1-amine.
What is the SMILES notation for N-[(4-ethylcyclohexyl)methyl]prop-2-en-1-amine?
The canonical SMILES for N-[(4-ethylcyclohexyl)methyl]prop-2-en-1-amine is C=CCNCC1CCC(CC)CC1.
What is the InChIKey of N-[(4-ethylcyclohexyl)methyl]prop-2-en-1-amine?
The InChIKey is KWIUBDHBCLAYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-3-9-13-10-12-7-5-11(4-2)6-8-12/h3,11-13H,1,4-10H2,2H3.
What are the key properties of N-[(4-ethylcyclohexyl)methyl]prop-2-en-1-amine?
N-[(4-ethylcyclohexyl)methyl]prop-2-en-1-amine has a molecular weight of 181.32 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylcyclohexyl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 62139739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).