N-[[2-(1-propylimidazol-2-yl)cyclohexyl]methyl]propan-2-amine

C16H29N3 — CID 81023933

IUPACN-[[2-(1-propylimidazol-2-yl)cyclohexyl]methyl]propan-2-amine
SMILESCCCn1ccnc1C1CCCCC1CNC(C)C
InChIInChI=1S/C16H29N3/c1-4-10-19-11-9-17-16(19)15-8-6-5-7-14(15)12-18-13(2)3/h9,11,13-15,18H,4-8,10,12H2,1-3H3
InChIKeyPIDLTLRDAQUGOL-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.56
Rot. Bonds6

About N-[[2-(1-propylimidazol-2-yl)cyclohexyl]methyl]propan-2-amine

N-[[2-(1-propylimidazol-2-yl)cyclohexyl]methyl]propan-2-amine (PubChem CID 81023933) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N-[[2-(1-propylimidazol-2-yl)cyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(1-propylimidazol-2-yl)cyclohexyl]methyl]propan-2-amine
PubChem CID81023933
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN-[[2-(1-propylimidazol-2-yl)cyclohexyl]methyl]propan-2-amine
SMILESCCCn1ccnc1C1CCCCC1CNC(C)C
InChIInChI=1S/C16H29N3/c1-4-10-19-11-9-17-16(19)15-8-6-5-7-14(15)12-18-13(2)3/h9,11,13-15,18H,4-8,10,12H2,1-3H3
InChIKeyPIDLTLRDAQUGOL-UHFFFAOYSA-N
XLogP3.56
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(1-ethylimidazol-2-yl)cycloheptyl]methyl]propan-2-amine
CID 81025106
N-methyl-1-[2-(1-propylimidazol-2-yl)cyclohexyl]methanamine
CID 81027726
N-[[2-(1-methylimidazol-2-yl)cycloheptyl]methyl]propan-2-amine
CID 81025904
1-[2-(1-ethylimidazol-2-yl)cyclohexyl]-N-methylmethanamine
CID 81026716
2-(1-propylimidazol-2-yl)cycloheptane-1-carboxylic acid
CID 81008890
N-methyl-1-[4-propyl-2-(1-propylimidazol-2-yl)cyclohexyl]methanamine
CID 81029967
2-methyl-N-[[2-(1-methylimidazol-2-yl)cyclohexyl]methyl]propan-2-amine
CID 81024634
(1S)-1-cyclopentyl-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 81394730
N-ethyl-2-methyl-3-(1-propylimidazol-2-yl)cyclopentan-1-amine
CID 64907687
2-(1-ethylimidazol-2-yl)cycloheptan-1-amine
CID 63968778
N-[(2-pyrazin-2-ylcycloheptyl)methyl]propan-2-amine
CID 81025607
N-[[2-[(1-propylimidazol-2-yl)methyl]cycloheptyl]methyl]ethanamine
CID 81025079

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-propylimidazol-2-yl)cyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(1-propylimidazol-2-yl)cyclohexyl]methyl]propan-2-amine (CID 81023933) is N-[[2-(1-propylimidazol-2-yl)cyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(1-propylimidazol-2-yl)cyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(1-propylimidazol-2-yl)cyclohexyl]methyl]propan-2-amine is CCCn1ccnc1C1CCCCC1CNC(C)C.
What is the InChIKey of N-[[2-(1-propylimidazol-2-yl)cyclohexyl]methyl]propan-2-amine?
The InChIKey is PIDLTLRDAQUGOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-4-10-19-11-9-17-16(19)15-8-6-5-7-14(15)12-18-13(2)3/h9,11,13-15,18H,4-8,10,12H2,1-3H3.
What are the key properties of N-[[2-(1-propylimidazol-2-yl)cyclohexyl]methyl]propan-2-amine?
N-[[2-(1-propylimidazol-2-yl)cyclohexyl]methyl]propan-2-amine has a molecular weight of 263.43 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-propylimidazol-2-yl)cyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 81023933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).