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

C13H26N2 — CID 21334596

IUPACN-[[4-(ethylaminomethyl)cyclohexyl]methyl]prop-1-en-2-amine
SMILESC=C(C)NCC1CCC(CNCC)CC1
InChIInChI=1S/C13H26N2/c1-4-14-9-12-5-7-13(8-6-12)10-15-11(2)3/h12-15H,2,4-10H2,1,3H3
InChIKeyQBFZTJHZBSEMGH-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.53
Rot. Bonds6

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

N-[[4-(ethylaminomethyl)cyclohexyl]methyl]prop-1-en-2-amine (PubChem CID 21334596) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N-[[4-(ethylaminomethyl)cyclohexyl]methyl]prop-1-en-2-amine.

Molecular Properties

Compound NameN-[[4-(ethylaminomethyl)cyclohexyl]methyl]prop-1-en-2-amine
PubChem CID21334596
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN-[[4-(ethylaminomethyl)cyclohexyl]methyl]prop-1-en-2-amine
SMILESC=C(C)NCC1CCC(CNCC)CC1
InChIInChI=1S/C13H26N2/c1-4-14-9-12-5-7-13(8-6-12)10-15-11(2)3/h12-15H,2,4-10H2,1,3H3
InChIKeyQBFZTJHZBSEMGH-UHFFFAOYSA-N
XLogP2.53
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[[4-(ethylaminomethyl)cyclohexyl]methyl]prop-1-en-2-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

N-ethyl-3-(4-fluoro-4-methylcyclohexyl)prop-1-en-2-amine
CID 138459920
N-[[2-(aminomethyl)cyclohexyl]methyl]prop-1-en-2-amine
CID 20647282
N-[[3-(aminomethyl)cyclohexyl]methyl]prop-1-en-2-amine
CID 20647300
N-[[4-(aminomethyl)cyclohexyl]methyl]prop-1-en-2-amine
CID 21334595
N-[1-(4-methylcyclohexyl)ethenyl]propan-2-amine
CID 58450015
N-(cyclohexylmethyl)-3-methylbut-1-en-2-amine
CID 58450042
4-methyl-N-prop-1-en-2-ylpentan-1-amine
CID 59663941
N-[[4-[(methanidylamino)methyl]cyclohexyl]methyl]prop-1-en-2-amine;yttrium
CID 59953136
N-hex-1-en-2-yl-4-methylcyclohexan-1-amine
CID 67593365
trans-(1R,2R)-2-(aminomethyl)-N-prop-1-en-2-ylcyclohexan-1-amine
CID 69925388
N-[(3,3,5-trimethylcyclohexyl)methyl]prop-1-en-2-amine
CID 70257222
4-methyl-N-prop-1-en-2-ylcyclohexan-1-amine
CID 89012749

Frequently Asked Questions

What is the IUPAC name of N-[[4-(ethylaminomethyl)cyclohexyl]methyl]prop-1-en-2-amine?
The IUPAC name of N-[[4-(ethylaminomethyl)cyclohexyl]methyl]prop-1-en-2-amine (CID 21334596) is N-[[4-(ethylaminomethyl)cyclohexyl]methyl]prop-1-en-2-amine.
What is the SMILES notation for N-[[4-(ethylaminomethyl)cyclohexyl]methyl]prop-1-en-2-amine?
The canonical SMILES for N-[[4-(ethylaminomethyl)cyclohexyl]methyl]prop-1-en-2-amine is C=C(C)NCC1CCC(CNCC)CC1.
What is the InChIKey of N-[[4-(ethylaminomethyl)cyclohexyl]methyl]prop-1-en-2-amine?
The InChIKey is QBFZTJHZBSEMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-4-14-9-12-5-7-13(8-6-12)10-15-11(2)3/h12-15H,2,4-10H2,1,3H3.
What are the key properties of N-[[4-(ethylaminomethyl)cyclohexyl]methyl]prop-1-en-2-amine?
N-[[4-(ethylaminomethyl)cyclohexyl]methyl]prop-1-en-2-amine has a molecular weight of 210.36 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(ethylaminomethyl)cyclohexyl]methyl]prop-1-en-2-amine is sourced from PubChem (CID 21334596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).