4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]-1-N-propan-2-ylpentane-1,4-diamine

C14H28N4 — CID 63025005

IUPAC4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]-1-N-propan-2-ylpentane-1,4-diamine
SMILESCC(C)NCCCC(C)N(C)Cc1nccn1C
InChIInChI=1S/C14H28N4/c1-12(2)15-8-6-7-13(3)18(5)11-14-16-9-10-17(14)4/h9-10,12-13,15H,6-8,11H2,1-5H3
InChIKeyYDFAYNFZYWZMCD-UHFFFAOYSA-N
MW252.41 g/mol
LogP2.02
Rot. Bonds8

About 4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]-1-N-propan-2-ylpentane-1,4-diamine

4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]-1-N-propan-2-ylpentane-1,4-diamine (PubChem CID 63025005) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is 4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]-1-N-propan-2-ylpentane-1,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]-1-N-propan-2-ylpentane-1,4-diamine
PubChem CID63025005
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC Name4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]-1-N-propan-2-ylpentane-1,4-diamine
SMILESCC(C)NCCCC(C)N(C)Cc1nccn1C
InChIInChI=1S/C14H28N4/c1-12(2)15-8-6-7-13(3)18(5)11-14-16-9-10-17(14)4/h9-10,12-13,15H,6-8,11H2,1-5H3
InChIKeyYDFAYNFZYWZMCD-UHFFFAOYSA-N
XLogP2.02
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine
CID 63014615
2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]-1-N-pentylpropane-1,2-diamine
CID 55144619
5-(1-methylimidazol-2-yl)-N-propan-2-ylpentan-1-amine
CID 114532105
4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pentane-2,4-diamine
CID 64708051
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(propan-2-ylamino)ethanesulfonamide
CID 63024504
1-N-(3-methoxypropyl)-2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine
CID 63024687
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(4-methyl-2-pyridinyl)propan-2-amine
CID 46993022
(2R)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-(4-methyl-2-pyridinyl)propan-2-amine
CID 94606646
2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]hexane-1,2-diamine
CID 63015333
1-N-tert-butyl-2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]pentane-1,2-diamine
CID 83054407
4-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propyl]phenol
CID 81342939
4-[1-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]aniline
CID 63013171

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]-1-N-propan-2-ylpentane-1,4-diamine?
The IUPAC name of 4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]-1-N-propan-2-ylpentane-1,4-diamine (CID 63025005) is 4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]-1-N-propan-2-ylpentane-1,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]-1-N-propan-2-ylpentane-1,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]-1-N-propan-2-ylpentane-1,4-diamine is CC(C)NCCCC(C)N(C)Cc1nccn1C.
What is the InChIKey of 4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]-1-N-propan-2-ylpentane-1,4-diamine?
The InChIKey is YDFAYNFZYWZMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-12(2)15-8-6-7-13(3)18(5)11-14-16-9-10-17(14)4/h9-10,12-13,15H,6-8,11H2,1-5H3.
What are the key properties of 4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]-1-N-propan-2-ylpentane-1,4-diamine?
4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]-1-N-propan-2-ylpentane-1,4-diamine has a molecular weight of 252.41 g/mol, XLogP of 2.02, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]-1-N-propan-2-ylpentane-1,4-diamine is sourced from PubChem (CID 63025005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).