N,N-dimethyl-1-[[(3-propylimidazol-4-yl)methylamino]methyl]cyclohexan-1-amine

C16H30N4 — CID 66133760

IUPACN,N-dimethyl-1-[[(3-propylimidazol-4-yl)methylamino]methyl]cyclohexan-1-amine
SMILESCCCn1cncc1CNCC1(N(C)C)CCCCC1
InChIInChI=1S/C16H30N4/c1-4-10-20-14-18-12-15(20)11-17-13-16(19(2)3)8-6-5-7-9-16/h12,14,17H,4-11,13H2,1-3H3
InChIKeyKMQFQLYCOIONKT-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.65
Rot. Bonds7

About N,N-dimethyl-1-[[(3-propylimidazol-4-yl)methylamino]methyl]cyclohexan-1-amine

N,N-dimethyl-1-[[(3-propylimidazol-4-yl)methylamino]methyl]cyclohexan-1-amine (PubChem CID 66133760) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is N,N-dimethyl-1-[[(3-propylimidazol-4-yl)methylamino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[[(3-propylimidazol-4-yl)methylamino]methyl]cyclohexan-1-amine
PubChem CID66133760
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC NameN,N-dimethyl-1-[[(3-propylimidazol-4-yl)methylamino]methyl]cyclohexan-1-amine
SMILESCCCn1cncc1CNCC1(N(C)C)CCCCC1
InChIInChI=1S/C16H30N4/c1-4-10-20-14-18-12-15(20)11-17-13-16(19(2)3)8-6-5-7-9-16/h12,14,17H,4-11,13H2,1-3H3
InChIKeyKMQFQLYCOIONKT-UHFFFAOYSA-N
XLogP2.65
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-methylcyclopentyl)methyl]-1-(3-propylimidazol-4-yl)methanamine
CID 66129391
N,N-dimethyl-1-[[(3-methyltriazol-4-yl)methylamino]methyl]cyclopentan-1-amine
CID 115682190
N'-ethyl-N'-methyl-N-[(3-propylimidazol-4-yl)methyl]ethane-1,2-diamine
CID 66131979
[1-[[(3-ethylimidazol-4-yl)methylamino]methyl]cyclohexyl]methanol
CID 103965802
N-[(3-propylimidazol-4-yl)methyl]piperidin-1-amine
CID 83007579
N,N-dimethyl-4-[[(3-propylimidazol-4-yl)methylamino]methyl]aniline
CID 66134574
1-(1,1-dioxothiolan-2-yl)-N-[(3-propylimidazol-4-yl)methyl]methanamine
CID 81038867
N-[(3-propylimidazol-4-yl)methyl]but-3-yn-1-amine
CID 66130391
N'-methyl-N'-propan-2-yl-N-[(3-propylimidazol-4-yl)methyl]butane-1,4-diamine
CID 66131380
1-(4-ethylphenyl)-N-[(3-propylimidazol-4-yl)methyl]methanamine
CID 106899534
2-methoxy-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine
CID 102696680
N-propan-2-yl-2-[(3-propylimidazol-4-yl)methylamino]acetamide
CID 66132937

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[[(3-propylimidazol-4-yl)methylamino]methyl]cyclohexan-1-amine?
The IUPAC name of N,N-dimethyl-1-[[(3-propylimidazol-4-yl)methylamino]methyl]cyclohexan-1-amine (CID 66133760) is N,N-dimethyl-1-[[(3-propylimidazol-4-yl)methylamino]methyl]cyclohexan-1-amine.
What is the SMILES notation for N,N-dimethyl-1-[[(3-propylimidazol-4-yl)methylamino]methyl]cyclohexan-1-amine?
The canonical SMILES for N,N-dimethyl-1-[[(3-propylimidazol-4-yl)methylamino]methyl]cyclohexan-1-amine is CCCn1cncc1CNCC1(N(C)C)CCCCC1.
What is the InChIKey of N,N-dimethyl-1-[[(3-propylimidazol-4-yl)methylamino]methyl]cyclohexan-1-amine?
The InChIKey is KMQFQLYCOIONKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-4-10-20-14-18-12-15(20)11-17-13-16(19(2)3)8-6-5-7-9-16/h12,14,17H,4-11,13H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[[(3-propylimidazol-4-yl)methylamino]methyl]cyclohexan-1-amine?
N,N-dimethyl-1-[[(3-propylimidazol-4-yl)methylamino]methyl]cyclohexan-1-amine has a molecular weight of 278.44 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[[(3-propylimidazol-4-yl)methylamino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 66133760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).