N'-(cyclopropylmethyl)ethane-1,2-diamine

C6H14N2 — CID 21062197

IUPACN'-(cyclopropylmethyl)ethane-1,2-diamine
SMILESNCCNCC1CC1
InChIInChI=1S/C6H14N2/c7-3-4-8-5-6-1-2-6/h6,8H,1-5,7H2
InChIKeyLJGMFMZLKFEDGU-UHFFFAOYSA-N
MW114.19 g/mol
LogP-0.06
Rot. Bonds4

About N'-(cyclopropylmethyl)ethane-1,2-diamine

N'-(cyclopropylmethyl)ethane-1,2-diamine (PubChem CID 21062197) has the molecular formula C6H14N2 and a molecular weight of 114.19 g/mol. Its IUPAC name is N'-(cyclopropylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(cyclopropylmethyl)ethane-1,2-diamine
PubChem CID21062197
Molecular FormulaC6H14N2
Molecular Weight114.19 g/mol
Exact Mass114.12
IUPAC NameN'-(cyclopropylmethyl)ethane-1,2-diamine
SMILESNCCNCC1CC1
InChIInChI=1S/C6H14N2/c7-3-4-8-5-6-1-2-6/h6,8H,1-5,7H2
InChIKeyLJGMFMZLKFEDGU-UHFFFAOYSA-N
XLogP-0.06
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(cyclopentylmethylamino)ethyl]ethane-1,2-diamine
CID 59819099
N'-[3-(cyclopropylmethylamino)propyl]butane-1,4-diamine
CID 18175301
N'-[(3,4-dimethoxycyclohexyl)methyl]ethane-1,2-diamine
CID 175555316
N'-[[4-(aminomethyl)cyclohexyl]methyl]-N-(cyclohexylmethyl)propane-1,3-diamine
CID 70964455
N'-[[4-(aminomethyl)cyclohexyl]methyl]-N-methylpropane-1,3-diamine
CID 143996917
N-(cyclopropylmethyl)pentan-1-amine
CID 28566810
(E)-N,N'-bis[3-(cyclopropylmethylamino)propyl]but-2-ene-1,4-diamine
CID 19956427
N-[[4-(aminomethyl)cyclohexyl]methyl]-3,3-dimethylbutan-1-amine
CID 142934377
1-N-(cyclopropylmethyl)hexane-1,5-diamine
CID 82853515
1-N-(cyclopropylmethyl)butane-1,3-diamine
CID 61151017
4-(cyclopropylmethylamino)butanoic acid
CID 43377785
N-(cyclopropylmethyl)pent-4-yn-1-amine
CID 115656515

Frequently Asked Questions

What is the IUPAC name of N'-(cyclopropylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-(cyclopropylmethyl)ethane-1,2-diamine (CID 21062197) is N'-(cyclopropylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(cyclopropylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(cyclopropylmethyl)ethane-1,2-diamine is NCCNCC1CC1.
What is the InChIKey of N'-(cyclopropylmethyl)ethane-1,2-diamine?
The InChIKey is LJGMFMZLKFEDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2/c7-3-4-8-5-6-1-2-6/h6,8H,1-5,7H2.
What are the key properties of N'-(cyclopropylmethyl)ethane-1,2-diamine?
N'-(cyclopropylmethyl)ethane-1,2-diamine has a molecular weight of 114.19 g/mol, XLogP of -0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclopropylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 21062197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).