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

C15H29N3 — CID 66131081

IUPAC6-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]heptan-2-amine
SMILESCC(C)CCCC(C)NCc1cncn1C(C)C
InChIInChI=1S/C15H29N3/c1-12(2)7-6-8-14(5)17-10-15-9-16-11-18(15)13(3)4/h9,11-14,17H,6-8,10H2,1-5H3
InChIKeyOCQVDIZYMZLDEU-UHFFFAOYSA-N
MW251.42 g/mol
LogP3.77
Rot. Bonds8

About 6-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]heptan-2-amine

6-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]heptan-2-amine (PubChem CID 66131081) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 6-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]heptan-2-amine.

Molecular Properties

Compound Name6-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]heptan-2-amine
PubChem CID66131081
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name6-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]heptan-2-amine
SMILESCC(C)CCCC(C)NCc1cncn1C(C)C
InChIInChI=1S/C15H29N3/c1-12(2)7-6-8-14(5)17-10-15-9-16-11-18(15)13(3)4/h9,11-14,17H,6-8,10H2,1-5H3
InChIKeyOCQVDIZYMZLDEU-UHFFFAOYSA-N
XLogP3.77
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]heptan-2-amine?
The IUPAC name of 6-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]heptan-2-amine (CID 66131081) is 6-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]heptan-2-amine.
What is the SMILES notation for 6-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]heptan-2-amine?
The canonical SMILES for 6-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]heptan-2-amine is CC(C)CCCC(C)NCc1cncn1C(C)C.
What is the InChIKey of 6-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]heptan-2-amine?
The InChIKey is OCQVDIZYMZLDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-12(2)7-6-8-14(5)17-10-15-9-16-11-18(15)13(3)4/h9,11-14,17H,6-8,10H2,1-5H3.
What are the key properties of 6-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]heptan-2-amine?
6-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]heptan-2-amine has a molecular weight of 251.42 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]heptan-2-amine is sourced from PubChem (CID 66131081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).