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

C15H30N4 — CID 66131380

IUPACN'-methyl-N'-propan-2-yl-N-[(3-propylimidazol-4-yl)methyl]butane-1,4-diamine
SMILESCCCn1cncc1CNCCCCN(C)C(C)C
InChIInChI=1S/C15H30N4/c1-5-9-19-13-17-12-15(19)11-16-8-6-7-10-18(4)14(2)3/h12-14,16H,5-11H2,1-4H3
InChIKeyOTWBSFFKYWJDTA-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.50
Rot. Bonds10

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

N'-methyl-N'-propan-2-yl-N-[(3-propylimidazol-4-yl)methyl]butane-1,4-diamine (PubChem CID 66131380) has the molecular formula C15H30N4 and a molecular weight of 266.43 g/mol. Its IUPAC name is N'-methyl-N'-propan-2-yl-N-[(3-propylimidazol-4-yl)methyl]butane-1,4-diamine.

Molecular Properties

Compound NameN'-methyl-N'-propan-2-yl-N-[(3-propylimidazol-4-yl)methyl]butane-1,4-diamine
PubChem CID66131380
Molecular FormulaC15H30N4
Molecular Weight266.43 g/mol
Exact Mass266.25
IUPAC NameN'-methyl-N'-propan-2-yl-N-[(3-propylimidazol-4-yl)methyl]butane-1,4-diamine
SMILESCCCn1cncc1CNCCCCN(C)C(C)C
InChIInChI=1S/C15H30N4/c1-5-9-19-13-17-12-15(19)11-16-8-6-7-10-18(4)14(2)3/h12-14,16H,5-11H2,1-4H3
InChIKeyOTWBSFFKYWJDTA-UHFFFAOYSA-N
XLogP2.50
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.50
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

4-[5-(ethylaminomethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylbutan-1-amine
CID 66151168
N'-methyl-N-[(3-methylimidazol-4-yl)methyl]-N'-propan-2-ylbutane-1,4-diamine
CID 63001825
3-[5-(ethylaminomethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylpropan-1-amine
CID 106040180
N-methyl-4-[5-[(2-methylpropylamino)methyl]imidazol-1-yl]-N-propan-2-ylbutan-1-amine
CID 66150962
N'-ethyl-N'-methyl-N-[(3-propylimidazol-4-yl)methyl]ethane-1,2-diamine
CID 66131979
N'-methyl-N'-propan-2-yl-N-[(1-propylpyrrol-2-yl)methyl]propane-1,3-diamine
CID 114139714
2-[(3-propylimidazol-4-yl)methylamino]ethanesulfonamide
CID 66135415
2-(3-methylbutoxy)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 66130579
1,1-dimethyl-3-[2-[(3-propylimidazol-4-yl)methylamino]ethyl]urea
CID 83116947
3-phenoxy-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine
CID 66130980
N-[(3-ethylimidazol-4-yl)methyl]pentan-1-amine
CID 66118440
2-methoxy-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine
CID 102696680

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-propan-2-yl-N-[(3-propylimidazol-4-yl)methyl]butane-1,4-diamine?
The IUPAC name of N'-methyl-N'-propan-2-yl-N-[(3-propylimidazol-4-yl)methyl]butane-1,4-diamine (CID 66131380) is N'-methyl-N'-propan-2-yl-N-[(3-propylimidazol-4-yl)methyl]butane-1,4-diamine.
What is the SMILES notation for N'-methyl-N'-propan-2-yl-N-[(3-propylimidazol-4-yl)methyl]butane-1,4-diamine?
The canonical SMILES for N'-methyl-N'-propan-2-yl-N-[(3-propylimidazol-4-yl)methyl]butane-1,4-diamine is CCCn1cncc1CNCCCCN(C)C(C)C.
What is the InChIKey of N'-methyl-N'-propan-2-yl-N-[(3-propylimidazol-4-yl)methyl]butane-1,4-diamine?
The InChIKey is OTWBSFFKYWJDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4/c1-5-9-19-13-17-12-15(19)11-16-8-6-7-10-18(4)14(2)3/h12-14,16H,5-11H2,1-4H3.
What are the key properties of N'-methyl-N'-propan-2-yl-N-[(3-propylimidazol-4-yl)methyl]butane-1,4-diamine?
N'-methyl-N'-propan-2-yl-N-[(3-propylimidazol-4-yl)methyl]butane-1,4-diamine has a molecular weight of 266.43 g/mol, XLogP of 2.50, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-propan-2-yl-N-[(3-propylimidazol-4-yl)methyl]butane-1,4-diamine is sourced from PubChem (CID 66131380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).