N,N-bis(cyclopropylmethyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine

C16H28N4 — CID 66130810

IUPACN,N-bis(cyclopropylmethyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
SMILESCCCn1cncc1C(CN)N(CC1CC1)CC1CC1
InChIInChI=1S/C16H28N4/c1-2-7-19-12-18-9-16(19)15(8-17)20(10-13-3-4-13)11-14-5-6-14/h9,12-15H,2-8,10-11,17H2,1H3
InChIKeyCCDTZDBYBLLCEC-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.41
Rot. Bonds9

About N,N-bis(cyclopropylmethyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine

N,N-bis(cyclopropylmethyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine (PubChem CID 66130810) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is N,N-bis(cyclopropylmethyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N-bis(cyclopropylmethyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
PubChem CID66130810
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC NameN,N-bis(cyclopropylmethyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
SMILESCCCn1cncc1C(CN)N(CC1CC1)CC1CC1
InChIInChI=1S/C16H28N4/c1-2-7-19-12-18-9-16(19)15(8-17)20(10-13-3-4-13)11-14-5-6-14/h9,12-15H,2-8,10-11,17H2,1H3
InChIKeyCCDTZDBYBLLCEC-UHFFFAOYSA-N
XLogP2.41
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-N-propyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
CID 66129407
N,N-diethyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
CID 66131396
N-(cyclopropylmethyl)-1-(3-ethylimidazol-4-yl)-N-propan-2-ylethane-1,2-diamine
CID 66132849
N-methyl-N-(2-methylcyclohexyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
CID 66131408
N-butan-2-yl-N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
CID 66131202
N-methyl-N-(3-methylcyclohexyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
CID 66129804
N-butyl-N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
CID 66129797
2-(3-propylimidazol-4-yl)-2-(4-propylpiperidin-1-yl)ethanamine
CID 66130807
N-cyclopropyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
CID 66130610
N-(3,3-dimethylbutan-2-yl)-N-methyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
CID 66131803
N-cyclopropyl-1-(3-ethylimidazol-4-yl)-N-methylethane-1,2-diamine
CID 66134488
N-ethyl-1-(3-ethylimidazol-4-yl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 66133679

Frequently Asked Questions

What is the IUPAC name of N,N-bis(cyclopropylmethyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine?
The IUPAC name of N,N-bis(cyclopropylmethyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine (CID 66130810) is N,N-bis(cyclopropylmethyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N-bis(cyclopropylmethyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for N,N-bis(cyclopropylmethyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine is CCCn1cncc1C(CN)N(CC1CC1)CC1CC1.
What is the InChIKey of N,N-bis(cyclopropylmethyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine?
The InChIKey is CCDTZDBYBLLCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-2-7-19-12-18-9-16(19)15(8-17)20(10-13-3-4-13)11-14-5-6-14/h9,12-15H,2-8,10-11,17H2,1H3.
What are the key properties of N,N-bis(cyclopropylmethyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine?
N,N-bis(cyclopropylmethyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine has a molecular weight of 276.43 g/mol, XLogP of 2.41, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(cyclopropylmethyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 66130810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).