2-cyclopropyl-2-[dimethylamino(ethyl)amino]ethanamine

C9H21N3 — CID 57275496

IUPAC2-cyclopropyl-2-[dimethylamino(ethyl)amino]ethanamine
SMILESCCN(C(CN)C1CC1)N(C)C
InChIInChI=1S/C9H21N3/c1-4-12(11(2)3)9(7-10)8-5-6-8/h8-9H,4-7,10H2,1-3H3
InChIKeyXXYAVHSBJRIRHP-UHFFFAOYSA-N
MW171.29 g/mol
LogP0.52
Rot. Bonds5

About 2-cyclopropyl-2-[dimethylamino(ethyl)amino]ethanamine

2-cyclopropyl-2-[dimethylamino(ethyl)amino]ethanamine (PubChem CID 57275496) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is 2-cyclopropyl-2-[dimethylamino(ethyl)amino]ethanamine.

Molecular Properties

Compound Name2-cyclopropyl-2-[dimethylamino(ethyl)amino]ethanamine
PubChem CID57275496
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC Name2-cyclopropyl-2-[dimethylamino(ethyl)amino]ethanamine
SMILESCCN(C(CN)C1CC1)N(C)C
InChIInChI=1S/C9H21N3/c1-4-12(11(2)3)9(7-10)8-5-6-8/h8-9H,4-7,10H2,1-3H3
InChIKeyXXYAVHSBJRIRHP-UHFFFAOYSA-N
XLogP0.52
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2-Amino-1-cyclopropylethyl)dimethylamine
CID 43655002
(1-Amino-4-methylpentan-2-yl)diethylamine
CID 42933681
1-cyclopropyl-N'-(3,3-dimethylbutan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 75382833
(2S)-4-methyl-1-N-propylpentane-1,2-diamine
CID 44556370
1-cyclopropyl-N-(3-fluoropropyl)-N-methylethane-1,2-diamine
CID 116652638
1-cyclopropyl-N-(2-fluoroethyl)-N-methylethane-1,2-diamine
CID 116652664
2-N-ethyl-4-methylpentane-1,2-diamine
CID 575074
N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine
CID 21062194
[(2-Methylcyclopropyl)methyl](propan-2-yl)amine
CID 43163794
N'-(1-cyclopropylethyl)-N,N'-dimethylethane-1,2-diamine
CID 43569267
(2-Cyclopropylethyl)(propan-2-yl)amine
CID 53857840
(2-Amino-4-methylpentyl)(ethyl)amine
CID 57134387

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[dimethylamino(ethyl)amino]ethanamine?
The IUPAC name of 2-cyclopropyl-2-[dimethylamino(ethyl)amino]ethanamine (CID 57275496) is 2-cyclopropyl-2-[dimethylamino(ethyl)amino]ethanamine.
What is the SMILES notation for 2-cyclopropyl-2-[dimethylamino(ethyl)amino]ethanamine?
The canonical SMILES for 2-cyclopropyl-2-[dimethylamino(ethyl)amino]ethanamine is CCN(C(CN)C1CC1)N(C)C.
What is the InChIKey of 2-cyclopropyl-2-[dimethylamino(ethyl)amino]ethanamine?
The InChIKey is XXYAVHSBJRIRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3/c1-4-12(11(2)3)9(7-10)8-5-6-8/h8-9H,4-7,10H2,1-3H3.
What are the key properties of 2-cyclopropyl-2-[dimethylamino(ethyl)amino]ethanamine?
2-cyclopropyl-2-[dimethylamino(ethyl)amino]ethanamine has a molecular weight of 171.29 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[dimethylamino(ethyl)amino]ethanamine is sourced from PubChem (CID 57275496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).