N-[(3-hexan-2-ylimidazol-4-yl)methyl]propan-2-amine

C13H25N3 — CID 66149295

IUPACN-[(3-hexan-2-ylimidazol-4-yl)methyl]propan-2-amine
SMILESCCCCC(C)n1cncc1CNC(C)C
InChIInChI=1S/C13H25N3/c1-5-6-7-12(4)16-10-14-8-13(16)9-15-11(2)3/h8,10-12,15H,5-7,9H2,1-4H3
InChIKeyUKBFBYWZSKUZQC-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.13
Rot. Bonds7

About N-[(3-hexan-2-ylimidazol-4-yl)methyl]propan-2-amine

N-[(3-hexan-2-ylimidazol-4-yl)methyl]propan-2-amine (PubChem CID 66149295) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is N-[(3-hexan-2-ylimidazol-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(3-hexan-2-ylimidazol-4-yl)methyl]propan-2-amine
PubChem CID66149295
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC NameN-[(3-hexan-2-ylimidazol-4-yl)methyl]propan-2-amine
SMILESCCCCC(C)n1cncc1CNC(C)C
InChIInChI=1S/C13H25N3/c1-5-6-7-12(4)16-10-14-8-13(16)9-15-11(2)3/h8,10-12,15H,5-7,9H2,1-4H3
InChIKeyUKBFBYWZSKUZQC-UHFFFAOYSA-N
XLogP3.13
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-3-[5-[(propan-2-ylamino)methyl]imidazol-1-yl]butan-1-amine
CID 66149674
N-[(3-heptan-2-ylimidazol-4-yl)methyl]propan-1-amine
CID 66148416
N-[[3-(4,4,4-trifluorobutan-2-yl)imidazol-4-yl]methyl]propan-2-amine
CID 114129927
N-[(3-pentan-2-ylimidazol-4-yl)methyl]propan-1-amine
CID 66147531
2-[5-[(propan-2-ylamino)methyl]imidazol-1-yl]-N-propylpropanamide
CID 66151132
N-[(3-ethylimidazol-4-yl)methyl]propan-2-amine
CID 66118230
(1S)-1-(3-hexan-2-ylimidazol-4-yl)ethanamine
CID 104942866
1-methoxy-N-[(3-propan-2-ylimidazol-4-yl)methyl]pentan-2-amine
CID 66162188
2-[3-(6-methylheptan-2-yl)imidazol-4-yl]ethanamine
CID 114719540
N,N-dimethyl-2-[5-[(propan-2-ylamino)methyl]imidazol-1-yl]propanamide
CID 66146748
1-hexan-2-yl-5-pyrrolidin-2-ylimidazole
CID 114705557
N-[(3-propan-2-ylimidazol-4-yl)methyl]hex-1-yn-3-amine
CID 106227160

Frequently Asked Questions

What is the IUPAC name of N-[(3-hexan-2-ylimidazol-4-yl)methyl]propan-2-amine?
The IUPAC name of N-[(3-hexan-2-ylimidazol-4-yl)methyl]propan-2-amine (CID 66149295) is N-[(3-hexan-2-ylimidazol-4-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(3-hexan-2-ylimidazol-4-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(3-hexan-2-ylimidazol-4-yl)methyl]propan-2-amine is CCCCC(C)n1cncc1CNC(C)C.
What is the InChIKey of N-[(3-hexan-2-ylimidazol-4-yl)methyl]propan-2-amine?
The InChIKey is UKBFBYWZSKUZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-5-6-7-12(4)16-10-14-8-13(16)9-15-11(2)3/h8,10-12,15H,5-7,9H2,1-4H3.
What are the key properties of N-[(3-hexan-2-ylimidazol-4-yl)methyl]propan-2-amine?
N-[(3-hexan-2-ylimidazol-4-yl)methyl]propan-2-amine has a molecular weight of 223.36 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hexan-2-ylimidazol-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 66149295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).