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

C13H26N4 — CID 66131202

IUPACN-butan-2-yl-N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
SMILESCCCn1cncc1C(CN)N(C)C(C)CC
InChIInChI=1S/C13H26N4/c1-5-7-17-10-15-9-13(17)12(8-14)16(4)11(3)6-2/h9-12H,5-8,14H2,1-4H3
InChIKeyYUBBJVIRMNDGPR-UHFFFAOYSA-N
MW238.38 g/mol
LogP2.02
Rot. Bonds7

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

N-butan-2-yl-N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine (PubChem CID 66131202) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is N-butan-2-yl-N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-butan-2-yl-N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
PubChem CID66131202
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC NameN-butan-2-yl-N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
SMILESCCCn1cncc1C(CN)N(C)C(C)CC
InChIInChI=1S/C13H26N4/c1-5-7-17-10-15-9-13(17)12(8-14)16(4)11(3)6-2/h9-12H,5-8,14H2,1-4H3
InChIKeyYUBBJVIRMNDGPR-UHFFFAOYSA-N
XLogP2.02
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,3-dimethylbutan-2-yl)-N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
CID 66131803
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-butan-2-yl-N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine?
The IUPAC name of N-butan-2-yl-N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine (CID 66131202) is N-butan-2-yl-N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-butan-2-yl-N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-butan-2-yl-N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine is CCCn1cncc1C(CN)N(C)C(C)CC.
What is the InChIKey of N-butan-2-yl-N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine?
The InChIKey is YUBBJVIRMNDGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-5-7-17-10-15-9-13(17)12(8-14)16(4)11(3)6-2/h9-12H,5-8,14H2,1-4H3.
What are the key properties of N-butan-2-yl-N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine?
N-butan-2-yl-N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine has a molecular weight of 238.38 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 66131202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).