1-[1-amino-3-(1-methylimidazol-2-yl)propyl]-N,N-dimethylcyclohexan-1-amine

C15H28N4 — CID 114530454

IUPAC1-[1-amino-3-(1-methylimidazol-2-yl)propyl]-N,N-dimethylcyclohexan-1-amine
SMILESCN(C)C1(C(N)CCc2nccn2C)CCCCC1
InChIInChI=1S/C15H28N4/c1-18(2)15(9-5-4-6-10-15)13(16)7-8-14-17-11-12-19(14)3/h11-13H,4-10,16H2,1-3H3
InChIKeyHSDFZXMMSZRFKF-UHFFFAOYSA-N
MW264.42 g/mol
LogP1.94
Rot. Bonds5

About 1-[1-amino-3-(1-methylimidazol-2-yl)propyl]-N,N-dimethylcyclohexan-1-amine

1-[1-amino-3-(1-methylimidazol-2-yl)propyl]-N,N-dimethylcyclohexan-1-amine (PubChem CID 114530454) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 1-[1-amino-3-(1-methylimidazol-2-yl)propyl]-N,N-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[1-amino-3-(1-methylimidazol-2-yl)propyl]-N,N-dimethylcyclohexan-1-amine
PubChem CID114530454
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name1-[1-amino-3-(1-methylimidazol-2-yl)propyl]-N,N-dimethylcyclohexan-1-amine
SMILESCN(C)C1(C(N)CCc2nccn2C)CCCCC1
InChIInChI=1S/C15H28N4/c1-18(2)15(9-5-4-6-10-15)13(16)7-8-14-17-11-12-19(14)3/h11-13H,4-10,16H2,1-3H3
InChIKeyHSDFZXMMSZRFKF-UHFFFAOYSA-N
XLogP1.94
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(dimethylamino)cyclohexyl]-3-(1-methylimidazol-2-yl)propan-1-ol
CID 114529797
1-[amino-(1-methylimidazol-2-yl)methyl]-N,N-dimethylcyclopentan-1-amine
CID 79069821
1-cyclopentyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530015
1-[1-amino-2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-N,N-dimethylcycloheptan-1-amine
CID 79080658
[1-(1-methoxycyclobutyl)-3-(1-methylimidazol-2-yl)propyl]hydrazine
CID 105270412
1-(1-ethoxycycloheptyl)-3-(1-methylimidazol-2-yl)propan-1-ol
CID 114529884
1-methyl-2-(3-methylbutyl)imidazole
CID 68983412
1,1-difluoro-4-(1-methylimidazol-2-yl)butan-2-amine
CID 103517203
4-methyl-1-(1-methylimidazol-2-yl)-4-pyrrolidin-1-ylpentan-3-amine
CID 114530411
1-(7-bicyclo[4.1.0]heptanyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 105050153
3-(1-methylimidazol-2-yl)-1-(2-methyloxolan-2-yl)propan-1-ol
CID 114529819
1-(aminomethyl)-N-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-amine
CID 114527359

Frequently Asked Questions

What is the IUPAC name of 1-[1-amino-3-(1-methylimidazol-2-yl)propyl]-N,N-dimethylcyclohexan-1-amine?
The IUPAC name of 1-[1-amino-3-(1-methylimidazol-2-yl)propyl]-N,N-dimethylcyclohexan-1-amine (CID 114530454) is 1-[1-amino-3-(1-methylimidazol-2-yl)propyl]-N,N-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[1-amino-3-(1-methylimidazol-2-yl)propyl]-N,N-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-[1-amino-3-(1-methylimidazol-2-yl)propyl]-N,N-dimethylcyclohexan-1-amine is CN(C)C1(C(N)CCc2nccn2C)CCCCC1.
What is the InChIKey of 1-[1-amino-3-(1-methylimidazol-2-yl)propyl]-N,N-dimethylcyclohexan-1-amine?
The InChIKey is HSDFZXMMSZRFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-18(2)15(9-5-4-6-10-15)13(16)7-8-14-17-11-12-19(14)3/h11-13H,4-10,16H2,1-3H3.
What are the key properties of 1-[1-amino-3-(1-methylimidazol-2-yl)propyl]-N,N-dimethylcyclohexan-1-amine?
1-[1-amino-3-(1-methylimidazol-2-yl)propyl]-N,N-dimethylcyclohexan-1-amine has a molecular weight of 264.42 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-amino-3-(1-methylimidazol-2-yl)propyl]-N,N-dimethylcyclohexan-1-amine is sourced from PubChem (CID 114530454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).