3-N-(cyclopentylmethyl)-1-N-cyclopropyl-3-N,2-dimethylbutane-1,3-diamine

C15H30N2 — CID 79408757

IUPAC3-N-(cyclopentylmethyl)-1-N-cyclopropyl-3-N,2-dimethylbutane-1,3-diamine
SMILESCC(CNC1CC1)C(C)N(C)CC1CCCC1
InChIInChI=1S/C15H30N2/c1-12(10-16-15-8-9-15)13(2)17(3)11-14-6-4-5-7-14/h12-16H,4-11H2,1-3H3
InChIKeyDSOXTBPSLBRPPP-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.88
Rot. Bonds7

About 3-N-(cyclopentylmethyl)-1-N-cyclopropyl-3-N,2-dimethylbutane-1,3-diamine

3-N-(cyclopentylmethyl)-1-N-cyclopropyl-3-N,2-dimethylbutane-1,3-diamine (PubChem CID 79408757) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 3-N-(cyclopentylmethyl)-1-N-cyclopropyl-3-N,2-dimethylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-(cyclopentylmethyl)-1-N-cyclopropyl-3-N,2-dimethylbutane-1,3-diamine
PubChem CID79408757
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name3-N-(cyclopentylmethyl)-1-N-cyclopropyl-3-N,2-dimethylbutane-1,3-diamine
SMILESCC(CNC1CC1)C(C)N(C)CC1CCCC1
InChIInChI=1S/C15H30N2/c1-12(10-16-15-8-9-15)13(2)17(3)11-14-6-4-5-7-14/h12-16H,4-11H2,1-3H3
InChIKeyDSOXTBPSLBRPPP-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-cyclopropyl-3-N,2-dimethyl-3-N-(oxan-4-ylmethyl)butane-1,3-diamine
CID 79409399
3-N-(cyclobutylmethyl)-3-N,2-dimethyl-1-N-propan-2-ylbutane-1,3-diamine
CID 79409276
1-N-cyclohexyl-2-N-(cyclohexylmethyl)-2-N-methylpropane-1,2-diamine
CID 62568908
3-N-(cyclopentylmethyl)-3-N,2-dimethyl-1-N-propylbutane-1,3-diamine
CID 79408443
1-N-cyclopropyl-2-N-(cyclopropylmethyl)-2-N-methylbutane-1,2-diamine
CID 62428340
N-[(2S)-2,3-dimethylbutyl]cyclopentanamine
CID 59085010
N-(cyclohexylmethyl)-N-methylpropan-2-amine
CID 18711540
3-[cyclobutylmethyl(methyl)amino]butan-2-ol
CID 62861360
3-N,2-dimethyl-1-N-(2-methylpropyl)-3-N-(oxan-4-ylmethyl)butane-1,3-diamine
CID 81018894
3-N,2-dimethyl-3-N-[(1-methylpiperidin-4-yl)methyl]-1-N-(2-methylpropyl)butane-1,3-diamine
CID 81018774
1-N-cyclopropyl-2-methyl-3-N,3-N-bis(prop-2-enyl)butane-1,3-diamine
CID 79413811
2-N-(cyclopentylmethyl)-2-N-methyl-1-N-(2-methylpropyl)propane-1,2-diamine
CID 63655708

Frequently Asked Questions

What is the IUPAC name of 3-N-(cyclopentylmethyl)-1-N-cyclopropyl-3-N,2-dimethylbutane-1,3-diamine?
The IUPAC name of 3-N-(cyclopentylmethyl)-1-N-cyclopropyl-3-N,2-dimethylbutane-1,3-diamine (CID 79408757) is 3-N-(cyclopentylmethyl)-1-N-cyclopropyl-3-N,2-dimethylbutane-1,3-diamine.
What is the SMILES notation for 3-N-(cyclopentylmethyl)-1-N-cyclopropyl-3-N,2-dimethylbutane-1,3-diamine?
The canonical SMILES for 3-N-(cyclopentylmethyl)-1-N-cyclopropyl-3-N,2-dimethylbutane-1,3-diamine is CC(CNC1CC1)C(C)N(C)CC1CCCC1.
What is the InChIKey of 3-N-(cyclopentylmethyl)-1-N-cyclopropyl-3-N,2-dimethylbutane-1,3-diamine?
The InChIKey is DSOXTBPSLBRPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-12(10-16-15-8-9-15)13(2)17(3)11-14-6-4-5-7-14/h12-16H,4-11H2,1-3H3.
What are the key properties of 3-N-(cyclopentylmethyl)-1-N-cyclopropyl-3-N,2-dimethylbutane-1,3-diamine?
3-N-(cyclopentylmethyl)-1-N-cyclopropyl-3-N,2-dimethylbutane-1,3-diamine has a molecular weight of 238.42 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(cyclopentylmethyl)-1-N-cyclopropyl-3-N,2-dimethylbutane-1,3-diamine is sourced from PubChem (CID 79408757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).