2-methyl-N-[[1-(4-methylpentyl)imidazol-2-yl]methyl]propan-1-amine

C14H27N3 — CID 83158054

IUPAC2-methyl-N-[[1-(4-methylpentyl)imidazol-2-yl]methyl]propan-1-amine
SMILESCC(C)CCCn1ccnc1CNCC(C)C
InChIInChI=1S/C14H27N3/c1-12(2)6-5-8-17-9-7-16-14(17)11-15-10-13(3)4/h7,9,12-13,15H,5-6,8,10-11H2,1-4H3
InChIKeyXKFWUDLDWNFCNN-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.06
Rot. Bonds8

About 2-methyl-N-[[1-(4-methylpentyl)imidazol-2-yl]methyl]propan-1-amine

2-methyl-N-[[1-(4-methylpentyl)imidazol-2-yl]methyl]propan-1-amine (PubChem CID 83158054) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 2-methyl-N-[[1-(4-methylpentyl)imidazol-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-(4-methylpentyl)imidazol-2-yl]methyl]propan-1-amine
PubChem CID83158054
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name2-methyl-N-[[1-(4-methylpentyl)imidazol-2-yl]methyl]propan-1-amine
SMILESCC(C)CCCn1ccnc1CNCC(C)C
InChIInChI=1S/C14H27N3/c1-12(2)6-5-8-17-9-7-16-14(17)11-15-10-13(3)4/h7,9,12-13,15H,5-6,8,10-11H2,1-4H3
InChIKeyXKFWUDLDWNFCNN-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[1-(3-pyrrolidin-1-ylpropyl)imidazol-2-yl]methyl]propan-1-amine
CID 66400727
2-methyl-4-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]butan-2-ol
CID 79356035
5-methyl-N-[(1-propylimidazol-2-yl)methyl]hexan-1-amine
CID 115325223
N-[[1-(2-cyclopentylethyl)imidazol-2-yl]methyl]-2-methylpropan-1-amine
CID 114191659
1-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]propan-2-ol
CID 66402680
1-(4-methylpentyl)-2-propylimidazole
CID 83169083
2,2-dimethyl-4-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]butanenitrile
CID 66402687
2-methyl-N-[[1-(2-propylsulfonylethyl)imidazol-2-yl]methyl]propan-1-amine
CID 106717713
2-methyl-1-(4-methylpentyl)imidazole
CID 20811797
N-[[1-(3-methylbutyl)imidazol-2-yl]methyl]cyclopropanamine
CID 62223232
2-methyl-N-[[1-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazol-2-yl]methyl]propan-1-amine
CID 66401706
2-methyl-1-(5-methylhexyl)imidazole
CID 166170762

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(4-methylpentyl)imidazol-2-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[1-(4-methylpentyl)imidazol-2-yl]methyl]propan-1-amine (CID 83158054) is 2-methyl-N-[[1-(4-methylpentyl)imidazol-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[1-(4-methylpentyl)imidazol-2-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[1-(4-methylpentyl)imidazol-2-yl]methyl]propan-1-amine is CC(C)CCCn1ccnc1CNCC(C)C.
What is the InChIKey of 2-methyl-N-[[1-(4-methylpentyl)imidazol-2-yl]methyl]propan-1-amine?
The InChIKey is XKFWUDLDWNFCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-12(2)6-5-8-17-9-7-16-14(17)11-15-10-13(3)4/h7,9,12-13,15H,5-6,8,10-11H2,1-4H3.
What are the key properties of 2-methyl-N-[[1-(4-methylpentyl)imidazol-2-yl]methyl]propan-1-amine?
2-methyl-N-[[1-(4-methylpentyl)imidazol-2-yl]methyl]propan-1-amine has a molecular weight of 237.39 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(4-methylpentyl)imidazol-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 83158054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).