3-N-(1-cyclopropylethyl)-3-N,2-dimethyl-1-N-(2-methylpropyl)butane-1,3-diamine

C15H32N2 — CID 81011276

IUPAC3-N-(1-cyclopropylethyl)-3-N,2-dimethyl-1-N-(2-methylpropyl)butane-1,3-diamine
SMILESCC(C)CNCC(C)C(C)N(C)C(C)C1CC1
InChIInChI=1S/C15H32N2/c1-11(2)9-16-10-12(3)13(4)17(6)14(5)15-7-8-15/h11-16H,7-10H2,1-6H3
InChIKeyBYOGRHPHNZHMFP-UHFFFAOYSA-N
MW240.43 g/mol
LogP2.99
Rot. Bonds8

About 3-N-(1-cyclopropylethyl)-3-N,2-dimethyl-1-N-(2-methylpropyl)butane-1,3-diamine

3-N-(1-cyclopropylethyl)-3-N,2-dimethyl-1-N-(2-methylpropyl)butane-1,3-diamine (PubChem CID 81011276) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 3-N-(1-cyclopropylethyl)-3-N,2-dimethyl-1-N-(2-methylpropyl)butane-1,3-diamine.

Molecular Properties

Compound Name3-N-(1-cyclopropylethyl)-3-N,2-dimethyl-1-N-(2-methylpropyl)butane-1,3-diamine
PubChem CID81011276
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name3-N-(1-cyclopropylethyl)-3-N,2-dimethyl-1-N-(2-methylpropyl)butane-1,3-diamine
SMILESCC(C)CNCC(C)C(C)N(C)C(C)C1CC1
InChIInChI=1S/C15H32N2/c1-11(2)9-16-10-12(3)13(4)17(6)14(5)15-7-8-15/h11-16H,7-10H2,1-6H3
InChIKeyBYOGRHPHNZHMFP-UHFFFAOYSA-N
XLogP2.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N'-[[2-[[3-(ethylamino)propylamino]methyl]cyclopropyl]methyl]propane-1,3-diamine
CID 9888124
N-ethyl-N'-[[(1S,2R)-2-[4-(ethylamino)butylamino]cyclopropyl]methyl]butane-1,4-diamine
CID 45266925
N-Isopentylcyclopropanamine
CID 16771607
N-[(1R)-1-cyclopropylethyl]-2-fluoropropan-2-amine
CID 67141484
N-(1-cyclopropylethyl)-2-fluoropropan-2-amine
CID 77187032
(2R,3S)-N-cyclopropyl-3-fluoro-N',2-dimethylbutane-1,4-diamine
CID 89228286
3-N-(1-cyclopropylethyl)-4,4,4-trifluoro-3-N-methylbutane-1,3-diamine
CID 43753154
1-N-cyclopropyl-2-methyl-3-N-propan-2-yl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine
CID 79408611
1-N-cyclopropyl-2-methyl-3-N-propyl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine
CID 79408717
1-N-cyclopropyl-3-N,2-dimethyl-3-N-(3,3,3-trifluoropropyl)butane-1,3-diamine
CID 79408875
1-N-cyclopropyl-3-N-ethyl-2-methyl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine
CID 79408928
3-N-cyclopropyl-2-methyl-1-N-propyl-3-N-(2,2,2-trifluoroethyl)butane-1,3-diamine
CID 79409466

Frequently Asked Questions

What is the IUPAC name of 3-N-(1-cyclopropylethyl)-3-N,2-dimethyl-1-N-(2-methylpropyl)butane-1,3-diamine?
The IUPAC name of 3-N-(1-cyclopropylethyl)-3-N,2-dimethyl-1-N-(2-methylpropyl)butane-1,3-diamine (CID 81011276) is 3-N-(1-cyclopropylethyl)-3-N,2-dimethyl-1-N-(2-methylpropyl)butane-1,3-diamine.
What is the SMILES notation for 3-N-(1-cyclopropylethyl)-3-N,2-dimethyl-1-N-(2-methylpropyl)butane-1,3-diamine?
The canonical SMILES for 3-N-(1-cyclopropylethyl)-3-N,2-dimethyl-1-N-(2-methylpropyl)butane-1,3-diamine is CC(C)CNCC(C)C(C)N(C)C(C)C1CC1.
What is the InChIKey of 3-N-(1-cyclopropylethyl)-3-N,2-dimethyl-1-N-(2-methylpropyl)butane-1,3-diamine?
The InChIKey is BYOGRHPHNZHMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-11(2)9-16-10-12(3)13(4)17(6)14(5)15-7-8-15/h11-16H,7-10H2,1-6H3.
What are the key properties of 3-N-(1-cyclopropylethyl)-3-N,2-dimethyl-1-N-(2-methylpropyl)butane-1,3-diamine?
3-N-(1-cyclopropylethyl)-3-N,2-dimethyl-1-N-(2-methylpropyl)butane-1,3-diamine has a molecular weight of 240.43 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(1-cyclopropylethyl)-3-N,2-dimethyl-1-N-(2-methylpropyl)butane-1,3-diamine is sourced from PubChem (CID 81011276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).