5-methyl-N-[(1-propylimidazol-2-yl)methyl]hexan-1-amine

C14H27N3 — CID 115325223

IUPAC5-methyl-N-[(1-propylimidazol-2-yl)methyl]hexan-1-amine
SMILESCCCn1ccnc1CNCCCCC(C)C
InChIInChI=1S/C14H27N3/c1-4-10-17-11-9-16-14(17)12-15-8-6-5-7-13(2)3/h9,11,13,15H,4-8,10,12H2,1-3H3
InChIKeyCLAVUTZFGUODCR-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.21
Rot. Bonds9

About 5-methyl-N-[(1-propylimidazol-2-yl)methyl]hexan-1-amine

5-methyl-N-[(1-propylimidazol-2-yl)methyl]hexan-1-amine (PubChem CID 115325223) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 5-methyl-N-[(1-propylimidazol-2-yl)methyl]hexan-1-amine.

Molecular Properties

Compound Name5-methyl-N-[(1-propylimidazol-2-yl)methyl]hexan-1-amine
PubChem CID115325223
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name5-methyl-N-[(1-propylimidazol-2-yl)methyl]hexan-1-amine
SMILESCCCn1ccnc1CNCCCCC(C)C
InChIInChI=1S/C14H27N3/c1-4-10-17-11-9-16-14(17)12-15-8-6-5-7-13(2)3/h9,11,13,15H,4-8,10,12H2,1-3H3
InChIKeyCLAVUTZFGUODCR-UHFFFAOYSA-N
XLogP3.21
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.21
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'-[(1-propylimidazol-2-yl)methyl]ethane-1,2-diamine
CID 62957721
5,5,5-trifluoro-N-[(1-propylimidazol-2-yl)methyl]pentan-1-amine
CID 113327188
2-methyl-N-[[1-(4-methylpentyl)imidazol-2-yl]methyl]propan-1-amine
CID 83158054
3-methylsulfonyl-N-[(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 55152521
3-propoxy-N-[(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 82941127
N-[(1-decylimidazol-2-yl)methyl]propan-1-amine
CID 63409141
N-[(1-hexylimidazol-2-yl)methyl]propan-1-amine
CID 62221809
1-(4-methylpentyl)-2-propylimidazole
CID 83169083
N-(4-methylpentyl)-1-propylimidazol-2-amine
CID 106572167
N,4-dimethyl-1-(1-propylimidazol-2-yl)pentan-2-amine
CID 79752057
2-imidazol-1-yl-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 62956678
tert-butyl N-[4-[(1-propylimidazol-2-yl)methylamino]butan-2-yl]carbamate
CID 107246928

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(1-propylimidazol-2-yl)methyl]hexan-1-amine?
The IUPAC name of 5-methyl-N-[(1-propylimidazol-2-yl)methyl]hexan-1-amine (CID 115325223) is 5-methyl-N-[(1-propylimidazol-2-yl)methyl]hexan-1-amine.
What is the SMILES notation for 5-methyl-N-[(1-propylimidazol-2-yl)methyl]hexan-1-amine?
The canonical SMILES for 5-methyl-N-[(1-propylimidazol-2-yl)methyl]hexan-1-amine is CCCn1ccnc1CNCCCCC(C)C.
What is the InChIKey of 5-methyl-N-[(1-propylimidazol-2-yl)methyl]hexan-1-amine?
The InChIKey is CLAVUTZFGUODCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-4-10-17-11-9-16-14(17)12-15-8-6-5-7-13(2)3/h9,11,13,15H,4-8,10,12H2,1-3H3.
What are the key properties of 5-methyl-N-[(1-propylimidazol-2-yl)methyl]hexan-1-amine?
5-methyl-N-[(1-propylimidazol-2-yl)methyl]hexan-1-amine has a molecular weight of 237.39 g/mol, XLogP of 3.21, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(1-propylimidazol-2-yl)methyl]hexan-1-amine is sourced from PubChem (CID 115325223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).