2-N,2-N,3-trimethyl-1-N-[(3-propan-2-ylimidazol-4-yl)methyl]butane-1,2-diamine

C14H28N4 — CID 66131875

IUPAC2-N,2-N,3-trimethyl-1-N-[(3-propan-2-ylimidazol-4-yl)methyl]butane-1,2-diamine
SMILESCC(C)C(CNCc1cncn1C(C)C)N(C)C
InChIInChI=1S/C14H28N4/c1-11(2)14(17(5)6)9-15-7-13-8-16-10-18(13)12(3)4/h8,10-12,14-15H,7,9H2,1-6H3
InChIKeyAOPICVJYQOUSLV-UHFFFAOYSA-N
MW252.41 g/mol
LogP2.14
Rot. Bonds7

About 2-N,2-N,3-trimethyl-1-N-[(3-propan-2-ylimidazol-4-yl)methyl]butane-1,2-diamine

2-N,2-N,3-trimethyl-1-N-[(3-propan-2-ylimidazol-4-yl)methyl]butane-1,2-diamine (PubChem CID 66131875) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is 2-N,2-N,3-trimethyl-1-N-[(3-propan-2-ylimidazol-4-yl)methyl]butane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N,3-trimethyl-1-N-[(3-propan-2-ylimidazol-4-yl)methyl]butane-1,2-diamine
PubChem CID66131875
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC Name2-N,2-N,3-trimethyl-1-N-[(3-propan-2-ylimidazol-4-yl)methyl]butane-1,2-diamine
SMILESCC(C)C(CNCc1cncn1C(C)C)N(C)C
InChIInChI=1S/C14H28N4/c1-11(2)14(17(5)6)9-15-7-13-8-16-10-18(13)12(3)4/h8,10-12,14-15H,7,9H2,1-6H3
InChIKeyAOPICVJYQOUSLV-UHFFFAOYSA-N
XLogP2.14
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-N,2-N,3-trimethyl-1-N-[(3-propan-2-ylimidazol-4-yl)methyl]butane-1,2-diamine with MolForge

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Related Compounds

3-methyl-4-[(3-propan-2-ylimidazol-4-yl)methylamino]butan-1-ol
CID 66164185
2-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 66162182
N'-[(3-propan-2-ylimidazol-4-yl)methyl]propane-1,3-diamine
CID 66132307
N'-[(3-propan-2-ylimidazol-4-yl)methyl]butane-1,4-diamine
CID 66132309
ethyl 2-[(3-propan-2-ylimidazol-4-yl)methylamino]acetate
CID 66132120
N-[(3-propan-2-ylimidazol-4-yl)methyl]-1-pyridin-3-ylmethanamine
CID 66131281
1-(6-methoxy-3-pyridinyl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine
CID 66129481
3-phenoxy-N-[(3-propan-2-ylimidazol-4-yl)methyl]propan-1-amine
CID 66163380
1-[[(3-propan-2-ylimidazol-4-yl)methylamino]methyl]cyclopentan-1-ol
CID 66164576
2-N,2-N,3-trimethyl-1-N-[(1-propylpyrrol-2-yl)methyl]butane-1,2-diamine
CID 66412673
1-(6-methyl-3-pyridinyl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine
CID 66161982
5,5,5-trifluoro-N-[(3-propan-2-ylimidazol-4-yl)methyl]pentan-1-amine
CID 113327104

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,3-trimethyl-1-N-[(3-propan-2-ylimidazol-4-yl)methyl]butane-1,2-diamine?
The IUPAC name of 2-N,2-N,3-trimethyl-1-N-[(3-propan-2-ylimidazol-4-yl)methyl]butane-1,2-diamine (CID 66131875) is 2-N,2-N,3-trimethyl-1-N-[(3-propan-2-ylimidazol-4-yl)methyl]butane-1,2-diamine.
What is the SMILES notation for 2-N,2-N,3-trimethyl-1-N-[(3-propan-2-ylimidazol-4-yl)methyl]butane-1,2-diamine?
The canonical SMILES for 2-N,2-N,3-trimethyl-1-N-[(3-propan-2-ylimidazol-4-yl)methyl]butane-1,2-diamine is CC(C)C(CNCc1cncn1C(C)C)N(C)C.
What is the InChIKey of 2-N,2-N,3-trimethyl-1-N-[(3-propan-2-ylimidazol-4-yl)methyl]butane-1,2-diamine?
The InChIKey is AOPICVJYQOUSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-11(2)14(17(5)6)9-15-7-13-8-16-10-18(13)12(3)4/h8,10-12,14-15H,7,9H2,1-6H3.
What are the key properties of 2-N,2-N,3-trimethyl-1-N-[(3-propan-2-ylimidazol-4-yl)methyl]butane-1,2-diamine?
2-N,2-N,3-trimethyl-1-N-[(3-propan-2-ylimidazol-4-yl)methyl]butane-1,2-diamine has a molecular weight of 252.41 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,3-trimethyl-1-N-[(3-propan-2-ylimidazol-4-yl)methyl]butane-1,2-diamine is sourced from PubChem (CID 66131875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).