N-[[4,4-dimethyl-2-(1-methylimidazol-2-yl)cyclohexyl]methyl]propan-1-amine

C16H29N3 — CID 81030137

IUPACN-[[4,4-dimethyl-2-(1-methylimidazol-2-yl)cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1CCC(C)(C)CC1c1nccn1C
InChIInChI=1S/C16H29N3/c1-5-8-17-12-13-6-7-16(2,3)11-14(13)15-18-9-10-19(15)4/h9-10,13-14,17H,5-8,11-12H2,1-4H3
InChIKeyRXMSVXMPUUKSJB-UHFFFAOYSA-N
MW263.43 g/mol
LogP3.33
Rot. Bonds5

About N-[[4,4-dimethyl-2-(1-methylimidazol-2-yl)cyclohexyl]methyl]propan-1-amine

N-[[4,4-dimethyl-2-(1-methylimidazol-2-yl)cyclohexyl]methyl]propan-1-amine (PubChem CID 81030137) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N-[[4,4-dimethyl-2-(1-methylimidazol-2-yl)cyclohexyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[4,4-dimethyl-2-(1-methylimidazol-2-yl)cyclohexyl]methyl]propan-1-amine
PubChem CID81030137
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN-[[4,4-dimethyl-2-(1-methylimidazol-2-yl)cyclohexyl]methyl]propan-1-amine
SMILESCCCNCC1CCC(C)(C)CC1c1nccn1C
InChIInChI=1S/C16H29N3/c1-5-8-17-12-13-6-7-16(2,3)11-14(13)15-18-9-10-19(15)4/h9-10,13-14,17H,5-8,11-12H2,1-4H3
InChIKeyRXMSVXMPUUKSJB-UHFFFAOYSA-N
XLogP3.33
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[4,4-dimethyl-2-(1-methylimidazol-2-yl)cyclohexyl]methyl]-2-methylpropan-2-amine
CID 81031185
4,4-dimethyl-2-(1-methylimidazol-2-yl)cyclohexan-1-amine
CID 81014981
N-[[4,4-dimethyl-2-(1-propylpyrazol-4-yl)cyclohexyl]methyl]propan-1-amine
CID 81023100
[2-(1-ethylimidazol-2-yl)-4,4-dimethylcyclohexyl]methanamine
CID 81012620
N-[[4,4-dimethyl-2-(5-methylthiophen-3-yl)cyclohexyl]methyl]propan-1-amine
CID 81030279
N-[[2-(3-chloro-4-methylphenyl)-4,4-dimethylcyclohexyl]methyl]propan-1-amine
CID 107561181
N-[[2-(3-chlorophenyl)-4,4-dimethylcyclohexyl]methyl]propan-1-amine
CID 81030568
1-[4,4-dimethyl-2-[2-(1-methylimidazol-2-yl)ethyl]cyclohexyl]-N-methylmethanamine
CID 114533039
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(propylaminomethyl)cyclobutan-1-amine
CID 80998324
N-[[4-ethyl-2-[2-(1-methylimidazol-2-yl)ethyl]cyclohexyl]methyl]propan-1-amine
CID 114533031
N-[[4,4-dimethyl-2-[(1-methylimidazol-2-yl)methyl]cyclohexyl]methyl]propan-2-amine
CID 81031100
N-[[2-(cyclopentylmethyl)-4,4-dimethylcyclohexyl]methyl]propan-1-amine
CID 81030643

Frequently Asked Questions

What is the IUPAC name of N-[[4,4-dimethyl-2-(1-methylimidazol-2-yl)cyclohexyl]methyl]propan-1-amine?
The IUPAC name of N-[[4,4-dimethyl-2-(1-methylimidazol-2-yl)cyclohexyl]methyl]propan-1-amine (CID 81030137) is N-[[4,4-dimethyl-2-(1-methylimidazol-2-yl)cyclohexyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[4,4-dimethyl-2-(1-methylimidazol-2-yl)cyclohexyl]methyl]propan-1-amine?
The canonical SMILES for N-[[4,4-dimethyl-2-(1-methylimidazol-2-yl)cyclohexyl]methyl]propan-1-amine is CCCNCC1CCC(C)(C)CC1c1nccn1C.
What is the InChIKey of N-[[4,4-dimethyl-2-(1-methylimidazol-2-yl)cyclohexyl]methyl]propan-1-amine?
The InChIKey is RXMSVXMPUUKSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-5-8-17-12-13-6-7-16(2,3)11-14(13)15-18-9-10-19(15)4/h9-10,13-14,17H,5-8,11-12H2,1-4H3.
What are the key properties of N-[[4,4-dimethyl-2-(1-methylimidazol-2-yl)cyclohexyl]methyl]propan-1-amine?
N-[[4,4-dimethyl-2-(1-methylimidazol-2-yl)cyclohexyl]methyl]propan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4,4-dimethyl-2-(1-methylimidazol-2-yl)cyclohexyl]methyl]propan-1-amine is sourced from PubChem (CID 81030137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).