1-N-butan-2-yl-2-cyclopropyl-1-N-ethylpropane-1,2-diamine

C12H26N2 — CID 60868279

IUPAC1-N-butan-2-yl-2-cyclopropyl-1-N-ethylpropane-1,2-diamine
SMILESCCC(C)N(CC)CC(C)(N)C1CC1
InChIInChI=1S/C12H26N2/c1-5-10(3)14(6-2)9-12(4,13)11-7-8-11/h10-11H,5-9,13H2,1-4H3
InChIKeyHWENETFIUBXIBQ-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.23
Rot. Bonds6

About 1-N-butan-2-yl-2-cyclopropyl-1-N-ethylpropane-1,2-diamine

1-N-butan-2-yl-2-cyclopropyl-1-N-ethylpropane-1,2-diamine (PubChem CID 60868279) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-N-butan-2-yl-2-cyclopropyl-1-N-ethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-butan-2-yl-2-cyclopropyl-1-N-ethylpropane-1,2-diamine
PubChem CID60868279
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-N-butan-2-yl-2-cyclopropyl-1-N-ethylpropane-1,2-diamine
SMILESCCC(C)N(CC)CC(C)(N)C1CC1
InChIInChI=1S/C12H26N2/c1-5-10(3)14(6-2)9-12(4,13)11-7-8-11/h10-11H,5-9,13H2,1-4H3
InChIKeyHWENETFIUBXIBQ-UHFFFAOYSA-N
XLogP2.23
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-N-butan-2-yl-2-cyclopropyl-1-N-ethylpropane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[butan-2-yl(ethyl)amino]-2-cyclopropyl-2-(ethylamino)propan-1-ol
CID 64797656
2-cyclopropyl-1-N,1-N-dipropylpropane-1,2-diamine
CID 60867915
2-cyclopropyl-1-N-(2-methylbutyl)propane-1,2-diamine
CID 62692906
(2S)-2-cyclopropylbutan-2-amine
CID 93299299
methyl 2-amino-2-cyclopropyl-3-[1-(dimethylamino)propan-2-yl-ethylamino]propanoate
CID 103190963
1-N,1-N-dicyclohexyl-2-cyclopropylpropane-1,2-diamine
CID 60868276
2-[[butan-2-yl(ethyl)amino]methyl]-4-tert-butyl-N-methylcyclohexan-1-amine
CID 63483811
2-amino-3-[butan-2-yl(butyl)amino]-2-cyclopropylpropanamide
CID 63919688
2-cyclopropyl-1-N-(cyclopropylmethyl)-1-N-propylpropane-1,2-diamine
CID 61443395
1-N-butyl-1-N,2-dicyclopropylpropane-1,2-diamine
CID 61443451
1-amino-2-cyclopropyl-3-[ethyl(1-methoxypropan-2-yl)amino]propan-2-ol
CID 64820006
ethyl 2-amino-2-cyclopropyl-3-[ethyl(propan-2-yl)amino]propanoate
CID 63910297

Frequently Asked Questions

What is the IUPAC name of 1-N-butan-2-yl-2-cyclopropyl-1-N-ethylpropane-1,2-diamine?
The IUPAC name of 1-N-butan-2-yl-2-cyclopropyl-1-N-ethylpropane-1,2-diamine (CID 60868279) is 1-N-butan-2-yl-2-cyclopropyl-1-N-ethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-butan-2-yl-2-cyclopropyl-1-N-ethylpropane-1,2-diamine?
The canonical SMILES for 1-N-butan-2-yl-2-cyclopropyl-1-N-ethylpropane-1,2-diamine is CCC(C)N(CC)CC(C)(N)C1CC1.
What is the InChIKey of 1-N-butan-2-yl-2-cyclopropyl-1-N-ethylpropane-1,2-diamine?
The InChIKey is HWENETFIUBXIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-5-10(3)14(6-2)9-12(4,13)11-7-8-11/h10-11H,5-9,13H2,1-4H3.
What are the key properties of 1-N-butan-2-yl-2-cyclopropyl-1-N-ethylpropane-1,2-diamine?
1-N-butan-2-yl-2-cyclopropyl-1-N-ethylpropane-1,2-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-butan-2-yl-2-cyclopropyl-1-N-ethylpropane-1,2-diamine is sourced from PubChem (CID 60868279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).