N-(cyclopropylmethyl)-1-(3-ethylimidazol-4-yl)-N-propan-2-ylethane-1,2-diamine

C14H26N4 — CID 66132849

IUPACN-(cyclopropylmethyl)-1-(3-ethylimidazol-4-yl)-N-propan-2-ylethane-1,2-diamine
SMILESCCn1cncc1C(CN)N(CC1CC1)C(C)C
InChIInChI=1S/C14H26N4/c1-4-17-10-16-8-14(17)13(7-15)18(11(2)3)9-12-5-6-12/h8,10-13H,4-7,9,15H2,1-3H3
InChIKeyAWAVJVMKUCLDRZ-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.02
Rot. Bonds7

About N-(cyclopropylmethyl)-1-(3-ethylimidazol-4-yl)-N-propan-2-ylethane-1,2-diamine

N-(cyclopropylmethyl)-1-(3-ethylimidazol-4-yl)-N-propan-2-ylethane-1,2-diamine (PubChem CID 66132849) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(3-ethylimidazol-4-yl)-N-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(3-ethylimidazol-4-yl)-N-propan-2-ylethane-1,2-diamine
PubChem CID66132849
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC NameN-(cyclopropylmethyl)-1-(3-ethylimidazol-4-yl)-N-propan-2-ylethane-1,2-diamine
SMILESCCn1cncc1C(CN)N(CC1CC1)C(C)C
InChIInChI=1S/C14H26N4/c1-4-17-10-16-8-14(17)13(7-15)18(11(2)3)9-12-5-6-12/h8,10-13H,4-7,9,15H2,1-3H3
InChIKeyAWAVJVMKUCLDRZ-UHFFFAOYSA-N
XLogP2.02
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-bis(cyclopropylmethyl)-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
CID 66130810
N-cyclopropyl-1-(3-ethylimidazol-4-yl)-N-methylethane-1,2-diamine
CID 66134488
N-ethyl-1-(3-ethylimidazol-4-yl)-N-(1-methoxypropan-2-yl)ethane-1,2-diamine
CID 66133479
N-(cyclopropylmethyl)-N-propyl-1-(3-propylimidazol-4-yl)ethane-1,2-diamine
CID 66129407
1-(3-ethylimidazol-4-yl)-N-(1-ethylpiperidin-4-yl)-N-methylethane-1,2-diamine
CID 66133269
N-cyclopropyl-1-(3-ethylimidazol-4-yl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 66134912
N-ethyl-1-(3-ethylimidazol-4-yl)-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 66133679
N-(cyclopropylmethyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-propan-2-ylethane-1,2-diamine
CID 112669360
N-(cyclopropylmethyl)-1-(6-methyl-3-pyridinyl)-N-propan-2-ylethane-1,2-diamine
CID 113457090
N-(3,5-dimethylphenyl)-1-(3-ethylimidazol-4-yl)-N-methylethane-1,2-diamine
CID 66134914
1-(3-ethylimidazol-4-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 66135325
2-(4,4-dimethylpiperidin-1-yl)-2-(3-ethylimidazol-4-yl)ethanamine
CID 66133686

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(3-ethylimidazol-4-yl)-N-propan-2-ylethane-1,2-diamine?
The IUPAC name of N-(cyclopropylmethyl)-1-(3-ethylimidazol-4-yl)-N-propan-2-ylethane-1,2-diamine (CID 66132849) is N-(cyclopropylmethyl)-1-(3-ethylimidazol-4-yl)-N-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(3-ethylimidazol-4-yl)-N-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N-(cyclopropylmethyl)-1-(3-ethylimidazol-4-yl)-N-propan-2-ylethane-1,2-diamine is CCn1cncc1C(CN)N(CC1CC1)C(C)C.
What is the InChIKey of N-(cyclopropylmethyl)-1-(3-ethylimidazol-4-yl)-N-propan-2-ylethane-1,2-diamine?
The InChIKey is AWAVJVMKUCLDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-4-17-10-16-8-14(17)13(7-15)18(11(2)3)9-12-5-6-12/h8,10-13H,4-7,9,15H2,1-3H3.
What are the key properties of N-(cyclopropylmethyl)-1-(3-ethylimidazol-4-yl)-N-propan-2-ylethane-1,2-diamine?
N-(cyclopropylmethyl)-1-(3-ethylimidazol-4-yl)-N-propan-2-ylethane-1,2-diamine has a molecular weight of 250.39 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-(cyclopropylmethyl)-1-(3-ethylimidazol-4-yl)-N-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 66132849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).