1-(1-ethylimidazol-2-yl)-3-methoxy-N-propylhexan-2-amine

C15H29N3O — CID 116719464

IUPAC1-(1-ethylimidazol-2-yl)-3-methoxy-N-propylhexan-2-amine
SMILESCCCNC(Cc1nccn1CC)C(CCC)OC
InChIInChI=1S/C15H29N3O/c1-5-8-14(19-4)13(16-9-6-2)12-15-17-10-11-18(15)7-3/h10-11,13-14,16H,5-9,12H2,1-4H3
InChIKeyMTMIOTSRSYRULE-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.63
Rot. Bonds10

About 1-(1-ethylimidazol-2-yl)-3-methoxy-N-propylhexan-2-amine

1-(1-ethylimidazol-2-yl)-3-methoxy-N-propylhexan-2-amine (PubChem CID 116719464) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 1-(1-ethylimidazol-2-yl)-3-methoxy-N-propylhexan-2-amine.

Molecular Properties

Compound Name1-(1-ethylimidazol-2-yl)-3-methoxy-N-propylhexan-2-amine
PubChem CID116719464
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name1-(1-ethylimidazol-2-yl)-3-methoxy-N-propylhexan-2-amine
SMILESCCCNC(Cc1nccn1CC)C(CCC)OC
InChIInChI=1S/C15H29N3O/c1-5-8-14(19-4)13(16-9-6-2)12-15-17-10-11-18(15)7-3/h10-11,13-14,16H,5-9,12H2,1-4H3
InChIKeyMTMIOTSRSYRULE-UHFFFAOYSA-N
XLogP2.63
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(1-ethylimidazol-2-yl)-3-methoxypentan-2-amine
CID 116715779
1,1-dimethoxy-N-propyl-3-(1-propylimidazol-2-yl)propan-2-amine
CID 79760658
3-methoxy-1-(2-propan-2-yl-1,2,4-triazol-3-yl)-N-propylhexan-2-amine
CID 116719460
1-(1-ethylimidazol-2-yl)-4-methoxy-4-methyl-N-propylpentan-2-amine
CID 103028538
1-(1-ethylimidazol-2-yl)-N-propylnonan-2-amine
CID 105009255
1-(1-ethylimidazol-2-yl)-3-propoxy-N-propylpropan-2-amine
CID 79752808
N-[2-(1-ethylimidazol-2-yl)-1-(2-methoxyphenyl)ethyl]propan-1-amine
CID 79751737
N-[2-(1-ethylimidazol-2-yl)-1-(3-methoxy-4-pyridinyl)ethyl]propan-1-amine
CID 105065826
N-ethyl-1-(1-ethylimidazol-2-yl)-4-methoxybutan-2-amine
CID 79751583
1-N,1-N-diethyl-4-(1-ethylimidazol-2-yl)-3-N-propylbutane-1,3-diamine
CID 79760507
1-(3,5-difluorophenyl)-3-methoxy-N-propylhexan-2-amine
CID 105407006
4-[3-methoxy-2-(propylamino)hexyl]pyridin-2-amine
CID 116719566

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylimidazol-2-yl)-3-methoxy-N-propylhexan-2-amine?
The IUPAC name of 1-(1-ethylimidazol-2-yl)-3-methoxy-N-propylhexan-2-amine (CID 116719464) is 1-(1-ethylimidazol-2-yl)-3-methoxy-N-propylhexan-2-amine.
What is the SMILES notation for 1-(1-ethylimidazol-2-yl)-3-methoxy-N-propylhexan-2-amine?
The canonical SMILES for 1-(1-ethylimidazol-2-yl)-3-methoxy-N-propylhexan-2-amine is CCCNC(Cc1nccn1CC)C(CCC)OC.
What is the InChIKey of 1-(1-ethylimidazol-2-yl)-3-methoxy-N-propylhexan-2-amine?
The InChIKey is MTMIOTSRSYRULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-5-8-14(19-4)13(16-9-6-2)12-15-17-10-11-18(15)7-3/h10-11,13-14,16H,5-9,12H2,1-4H3.
What are the key properties of 1-(1-ethylimidazol-2-yl)-3-methoxy-N-propylhexan-2-amine?
1-(1-ethylimidazol-2-yl)-3-methoxy-N-propylhexan-2-amine has a molecular weight of 267.42 g/mol, XLogP of 2.63, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylimidazol-2-yl)-3-methoxy-N-propylhexan-2-amine is sourced from PubChem (CID 116719464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).