5-methyl-N-[(3-propylimidazol-4-yl)methyl]hexan-2-amine

C14H27N3 — CID 66133962

IUPAC5-methyl-N-[(3-propylimidazol-4-yl)methyl]hexan-2-amine
SMILESCCCn1cncc1CNC(C)CCC(C)C
InChIInChI=1S/C14H27N3/c1-5-8-17-11-15-9-14(17)10-16-13(4)7-6-12(2)3/h9,11-13,16H,5-8,10H2,1-4H3
InChIKeyRGFFIBVDWBPQLK-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.21
Rot. Bonds8

About 5-methyl-N-[(3-propylimidazol-4-yl)methyl]hexan-2-amine

5-methyl-N-[(3-propylimidazol-4-yl)methyl]hexan-2-amine (PubChem CID 66133962) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 5-methyl-N-[(3-propylimidazol-4-yl)methyl]hexan-2-amine.

Molecular Properties

Compound Name5-methyl-N-[(3-propylimidazol-4-yl)methyl]hexan-2-amine
PubChem CID66133962
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name5-methyl-N-[(3-propylimidazol-4-yl)methyl]hexan-2-amine
SMILESCCCn1cncc1CNC(C)CCC(C)C
InChIInChI=1S/C14H27N3/c1-5-8-17-11-15-9-14(17)10-16-13(4)7-6-12(2)3/h9,11-13,16H,5-8,10H2,1-4H3
InChIKeyRGFFIBVDWBPQLK-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine
CID 66130194
1-phenyl-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine
CID 66130984
4-methyl-3-[(3-propylimidazol-4-yl)methylamino]pentan-1-ol
CID 106348786
1-imidazol-1-yl-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine
CID 66131355
1-(4-fluorophenyl)-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine
CID 66130587
1-morpholin-4-yl-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine
CID 66129529
(1S)-N-[(3-propylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 81405734
N-[(3-propylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 66133954
2-(3-methylbutoxy)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 66130579
1-(4-methylphenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 66130561
(1R)-1-(2-chlorophenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 81377729
(1S)-1-(4-bromophenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 81359377

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(3-propylimidazol-4-yl)methyl]hexan-2-amine?
The IUPAC name of 5-methyl-N-[(3-propylimidazol-4-yl)methyl]hexan-2-amine (CID 66133962) is 5-methyl-N-[(3-propylimidazol-4-yl)methyl]hexan-2-amine.
What is the SMILES notation for 5-methyl-N-[(3-propylimidazol-4-yl)methyl]hexan-2-amine?
The canonical SMILES for 5-methyl-N-[(3-propylimidazol-4-yl)methyl]hexan-2-amine is CCCn1cncc1CNC(C)CCC(C)C.
What is the InChIKey of 5-methyl-N-[(3-propylimidazol-4-yl)methyl]hexan-2-amine?
The InChIKey is RGFFIBVDWBPQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-5-8-17-11-15-9-14(17)10-16-13(4)7-6-12(2)3/h9,11-13,16H,5-8,10H2,1-4H3.
What are the key properties of 5-methyl-N-[(3-propylimidazol-4-yl)methyl]hexan-2-amine?
5-methyl-N-[(3-propylimidazol-4-yl)methyl]hexan-2-amine has a molecular weight of 237.39 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(3-propylimidazol-4-yl)methyl]hexan-2-amine is sourced from PubChem (CID 66133962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).