N,2-dimethyl-6-(1-propylimidazol-2-yl)hexan-3-amine

C14H27N3 — CID 79761328

IUPACN,2-dimethyl-6-(1-propylimidazol-2-yl)hexan-3-amine
SMILESCCCn1ccnc1CCCC(NC)C(C)C
InChIInChI=1S/C14H27N3/c1-5-10-17-11-9-16-14(17)8-6-7-13(15-4)12(2)3/h9,11-13,15H,5-8,10H2,1-4H3
InChIKeyWQBRBNHRVHUTTN-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.86
Rot. Bonds8

About N,2-dimethyl-6-(1-propylimidazol-2-yl)hexan-3-amine

N,2-dimethyl-6-(1-propylimidazol-2-yl)hexan-3-amine (PubChem CID 79761328) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is N,2-dimethyl-6-(1-propylimidazol-2-yl)hexan-3-amine.

Molecular Properties

Compound NameN,2-dimethyl-6-(1-propylimidazol-2-yl)hexan-3-amine
PubChem CID79761328
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC NameN,2-dimethyl-6-(1-propylimidazol-2-yl)hexan-3-amine
SMILESCCCn1ccnc1CCCC(NC)C(C)C
InChIInChI=1S/C14H27N3/c1-5-10-17-11-9-16-14(17)8-6-7-13(15-4)12(2)3/h9,11-13,15H,5-8,10H2,1-4H3
InChIKeyWQBRBNHRVHUTTN-UHFFFAOYSA-N
XLogP2.86
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methylpentyl)-2-propylimidazole
CID 83169083
2-(3-bromobutyl)-1-propylimidazole
CID 64508695
2-(4-chloro-4-cyclopropylbutyl)-1-propylimidazole
CID 79760428
1-phenyl-4-(1-propylimidazol-2-yl)butan-1-ol
CID 79761213
1-cyclopropyl-N-propyl-4-(1-propylimidazol-2-yl)butan-1-amine
CID 79762298
N,4-dimethyl-1-(1-propylimidazol-2-yl)pentan-2-amine
CID 79752057
N,2,3-trimethyl-4-(1-propylimidazol-2-yl)butan-1-amine
CID 81016215
5-methyl-N-[(1-propylimidazol-2-yl)methyl]hexan-1-amine
CID 115325223
1,2-di(pentadecyl)imidazole
CID 69388452
N-(2-methoxyethyl)-3-(1-propylimidazol-2-yl)propan-1-amine
CID 64502833
N-methyl-4-phenyl-1-(1-propylimidazol-2-yl)butan-2-amine
CID 79751946
2-butyl-1-(3-propan-2-yloxypropyl)imidazole
CID 57089790

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-6-(1-propylimidazol-2-yl)hexan-3-amine?
The IUPAC name of N,2-dimethyl-6-(1-propylimidazol-2-yl)hexan-3-amine (CID 79761328) is N,2-dimethyl-6-(1-propylimidazol-2-yl)hexan-3-amine.
What is the SMILES notation for N,2-dimethyl-6-(1-propylimidazol-2-yl)hexan-3-amine?
The canonical SMILES for N,2-dimethyl-6-(1-propylimidazol-2-yl)hexan-3-amine is CCCn1ccnc1CCCC(NC)C(C)C.
What is the InChIKey of N,2-dimethyl-6-(1-propylimidazol-2-yl)hexan-3-amine?
The InChIKey is WQBRBNHRVHUTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-5-10-17-11-9-16-14(17)8-6-7-13(15-4)12(2)3/h9,11-13,15H,5-8,10H2,1-4H3.
What are the key properties of N,2-dimethyl-6-(1-propylimidazol-2-yl)hexan-3-amine?
N,2-dimethyl-6-(1-propylimidazol-2-yl)hexan-3-amine has a molecular weight of 237.39 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-6-(1-propylimidazol-2-yl)hexan-3-amine is sourced from PubChem (CID 79761328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).