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

C10H18N4 — CID 66118585

IUPACN-(cyclopropylmethyl)-1-(3-methylimidazol-4-yl)ethane-1,2-diamine
SMILESCn1cncc1C(CN)NCC1CC1
InChIInChI=1S/C10H18N4/c1-14-7-12-6-10(14)9(4-11)13-5-8-2-3-8/h6-9,13H,2-5,11H2,1H3
InChIKeyAOFGZPZFOBMOGL-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.42
Rot. Bonds5

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

N-(cyclopropylmethyl)-1-(3-methylimidazol-4-yl)ethane-1,2-diamine (PubChem CID 66118585) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(3-methylimidazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(3-methylimidazol-4-yl)ethane-1,2-diamine
PubChem CID66118585
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC NameN-(cyclopropylmethyl)-1-(3-methylimidazol-4-yl)ethane-1,2-diamine
SMILESCn1cncc1C(CN)NCC1CC1
InChIInChI=1S/C10H18N4/c1-14-7-12-6-10(14)9(4-11)13-5-8-2-3-8/h6-9,13H,2-5,11H2,1H3
InChIKeyAOFGZPZFOBMOGL-UHFFFAOYSA-N
XLogP0.42
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(3-methylimidazol-4-yl)ethane-1,2-diamine?
The IUPAC name of N-(cyclopropylmethyl)-1-(3-methylimidazol-4-yl)ethane-1,2-diamine (CID 66118585) is N-(cyclopropylmethyl)-1-(3-methylimidazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(3-methylimidazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-(cyclopropylmethyl)-1-(3-methylimidazol-4-yl)ethane-1,2-diamine is Cn1cncc1C(CN)NCC1CC1.
What is the InChIKey of N-(cyclopropylmethyl)-1-(3-methylimidazol-4-yl)ethane-1,2-diamine?
The InChIKey is AOFGZPZFOBMOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-14-7-12-6-10(14)9(4-11)13-5-8-2-3-8/h6-9,13H,2-5,11H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-1-(3-methylimidazol-4-yl)ethane-1,2-diamine?
N-(cyclopropylmethyl)-1-(3-methylimidazol-4-yl)ethane-1,2-diamine has a molecular weight of 194.28 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-(3-methylimidazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 66118585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).