N-(cyclopropylmethyl)-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine

C12H22N4 — CID 66164597

IUPACN-(cyclopropylmethyl)-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine
SMILESCC(C)n1cncc1C(CN)NCC1CC1
InChIInChI=1S/C12H22N4/c1-9(2)16-8-14-7-12(16)11(5-13)15-6-10-3-4-10/h7-11,15H,3-6,13H2,1-2H3
InChIKeyJIUWPNYWPPAQIV-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.46
Rot. Bonds6

About N-(cyclopropylmethyl)-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine

N-(cyclopropylmethyl)-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine (PubChem CID 66164597) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine
PubChem CID66164597
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC NameN-(cyclopropylmethyl)-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine
SMILESCC(C)n1cncc1C(CN)NCC1CC1
InChIInChI=1S/C12H22N4/c1-9(2)16-8-14-7-12(16)11(5-13)15-6-10-3-4-10/h7-11,15H,3-6,13H2,1-2H3
InChIKeyJIUWPNYWPPAQIV-UHFFFAOYSA-N
XLogP1.46
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-1-(3-methylimidazol-4-yl)ethane-1,2-diamine
CID 66118585
N-(2,2-difluoroethyl)-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine
CID 115406311
ethyl 2-(cyclopropylmethylamino)-2-(3-propan-2-ylimidazol-4-yl)acetate
CID 66163023
N-phenyl-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine
CID 66163812
3-cyclopropyl-1-(3-propan-2-ylimidazol-4-yl)propan-1-ol
CID 106590501
2-(4-methoxypiperidin-1-yl)-2-(3-propan-2-ylimidazol-4-yl)ethanamine
CID 66163603
2-[3-(methoxymethyl)piperidin-1-yl]-2-(3-propan-2-ylimidazol-4-yl)ethanamine
CID 106586426
1-(3-cyclopropylimidazol-4-yl)-N-propylethane-1,2-diamine
CID 66141019
N-cyclopropyl-N-(3-methylbutyl)-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine
CID 79026972
2-(2-cyclopentylpyrrolidin-1-yl)-2-(3-propan-2-ylimidazol-4-yl)ethanamine
CID 66164793
1-[2-amino-1-(3-propan-2-ylimidazol-4-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 66164594
N-(2-methoxyethyl)-N-propan-2-yl-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine
CID 82948271

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine?
The IUPAC name of N-(cyclopropylmethyl)-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine (CID 66164597) is N-(cyclopropylmethyl)-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-(cyclopropylmethyl)-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine is CC(C)n1cncc1C(CN)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine?
The InChIKey is JIUWPNYWPPAQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-9(2)16-8-14-7-12(16)11(5-13)15-6-10-3-4-10/h7-11,15H,3-6,13H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine?
N-(cyclopropylmethyl)-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine has a molecular weight of 222.34 g/mol, XLogP of 1.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-(3-propan-2-ylimidazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 66164597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).