N-(3,3-dimethylbutan-2-yl)-N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine

C15H30N4 — CID 66131803

IUPACN-(3,3-dimethylbutan-2-yl)-N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
SMILESCCCn1cncc1C(CN)N(C)C(C)C(C)(C)C
InChIInChI=1S/C15H30N4/c1-7-8-19-11-17-10-14(19)13(9-16)18(6)12(2)15(3,4)5/h10-13H,7-9,16H2,1-6H3
InChIKeyLGVKQWPJTVVYGH-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.66
Rot. Bonds6

About N-(3,3-dimethylbutan-2-yl)-N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine

N-(3,3-dimethylbutan-2-yl)-N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine (PubChem CID 66131803) has the molecular formula C15H30N4 and a molecular weight of 266.43 g/mol. Its IUPAC name is N-(3,3-dimethylbutan-2-yl)-N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(3,3-dimethylbutan-2-yl)-N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
PubChem CID66131803
Molecular FormulaC15H30N4
Molecular Weight266.43 g/mol
Exact Mass266.25
IUPAC NameN-(3,3-dimethylbutan-2-yl)-N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
SMILESCCCn1cncc1C(CN)N(C)C(C)C(C)(C)C
InChIInChI=1S/C15H30N4/c1-7-8-19-11-17-10-14(19)13(9-16)18(6)12(2)15(3,4)5/h10-13H,7-9,16H2,1-6H3
InChIKeyLGVKQWPJTVVYGH-UHFFFAOYSA-N
XLogP2.66
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
CID 66131202
N,N-diethyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
CID 66131396
N-methyl-1-(3-propylimidazol-4-yl)-N-(1-thiophen-2-ylethyl)ethane-1,2-diamine
CID 66130407
N-butyl-N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
CID 66129797
N,N-bis(cyclopropylmethyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
CID 66130810
N-methyl-N-(2-methylcyclohexyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
CID 66131408
N-methyl-N-(3-methylcyclohexyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
CID 66129804
N-(cyclopropylmethyl)-N-propyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
CID 66129407
N-methyl-N-[(3-methylphenyl)methyl]-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
CID 66130799
N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
CID 66130411
N-propan-2-yl-1-(3-propylimidazol-4-yl)-N-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 66130211
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
CID 66130408

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylbutan-2-yl)-N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine?
The IUPAC name of N-(3,3-dimethylbutan-2-yl)-N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine (CID 66131803) is N-(3,3-dimethylbutan-2-yl)-N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(3,3-dimethylbutan-2-yl)-N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-(3,3-dimethylbutan-2-yl)-N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine is CCCn1cncc1C(CN)N(C)C(C)C(C)(C)C.
What is the InChIKey of N-(3,3-dimethylbutan-2-yl)-N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine?
The InChIKey is LGVKQWPJTVVYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4/c1-7-8-19-11-17-10-14(19)13(9-16)18(6)12(2)15(3,4)5/h10-13H,7-9,16H2,1-6H3.
What are the key properties of N-(3,3-dimethylbutan-2-yl)-N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine?
N-(3,3-dimethylbutan-2-yl)-N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine has a molecular weight of 266.43 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylbutan-2-yl)-N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 66131803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).