4-propyl-N-[(3-propylimidazol-4-yl)methyl]cyclohexan-1-amine

C16H29N3 — CID 66129378

IUPAC4-propyl-N-[(3-propylimidazol-4-yl)methyl]cyclohexan-1-amine
SMILESCCCC1CCC(NCc2cncn2CCC)CC1
InChIInChI=1S/C16H29N3/c1-3-5-14-6-8-15(9-7-14)18-12-16-11-17-13-19(16)10-4-2/h11,13-15,18H,3-10,12H2,1-2H3
InChIKeyXNDITCKAJGKKCV-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.74
Rot. Bonds7

About 4-propyl-N-[(3-propylimidazol-4-yl)methyl]cyclohexan-1-amine

4-propyl-N-[(3-propylimidazol-4-yl)methyl]cyclohexan-1-amine (PubChem CID 66129378) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 4-propyl-N-[(3-propylimidazol-4-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-propyl-N-[(3-propylimidazol-4-yl)methyl]cyclohexan-1-amine
PubChem CID66129378
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name4-propyl-N-[(3-propylimidazol-4-yl)methyl]cyclohexan-1-amine
SMILESCCCC1CCC(NCc2cncn2CCC)CC1
InChIInChI=1S/C16H29N3/c1-3-5-14-6-8-15(9-7-14)18-12-16-11-17-13-19(16)10-4-2/h11,13-15,18H,3-10,12H2,1-2H3
InChIKeyXNDITCKAJGKKCV-UHFFFAOYSA-N
XLogP3.74
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-propyl-N-[(3-propylimidazol-4-yl)methyl]piperidin-4-amine
CID 66134778
N-[(3-propylimidazol-4-yl)methyl]cyclohex-3-en-1-amine
CID 66129398
3-[(3-propylimidazol-4-yl)methylamino]cyclobutan-1-ol
CID 66129997
N-[[3-(3,3,3-trifluoropropyl)imidazol-4-yl]methyl]cyclopropanamine
CID 66151603
N-[[3-[3-(diethylamino)propyl]imidazol-4-yl]methyl]cyclopropanamine
CID 66146507
N-[(3-propylimidazol-4-yl)methyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 66130357
2,2,6,6-tetramethyl-N-[(3-propylimidazol-4-yl)methyl]piperidin-4-amine
CID 66134567
2-methyl-1-[4-[(3-propylimidazol-4-yl)methylamino]piperidin-1-yl]propan-1-one
CID 66130556
N-[[3-(3-methoxypropyl)imidazol-4-yl]methyl]cyclopropanamine
CID 66146516
N-[[3-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]cyclopropanamine
CID 66150734
1-cyclopropyl-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine
CID 66130194
4-propyl-N-[(2-propylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 114555646

Frequently Asked Questions

What is the IUPAC name of 4-propyl-N-[(3-propylimidazol-4-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 4-propyl-N-[(3-propylimidazol-4-yl)methyl]cyclohexan-1-amine (CID 66129378) is 4-propyl-N-[(3-propylimidazol-4-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-propyl-N-[(3-propylimidazol-4-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-propyl-N-[(3-propylimidazol-4-yl)methyl]cyclohexan-1-amine is CCCC1CCC(NCc2cncn2CCC)CC1.
What is the InChIKey of 4-propyl-N-[(3-propylimidazol-4-yl)methyl]cyclohexan-1-amine?
The InChIKey is XNDITCKAJGKKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-3-5-14-6-8-15(9-7-14)18-12-16-11-17-13-19(16)10-4-2/h11,13-15,18H,3-10,12H2,1-2H3.
What are the key properties of 4-propyl-N-[(3-propylimidazol-4-yl)methyl]cyclohexan-1-amine?
4-propyl-N-[(3-propylimidazol-4-yl)methyl]cyclohexan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-N-[(3-propylimidazol-4-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 66129378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).