3-N-(cyclopentylmethyl)-3-N,2-dimethyl-1-N-propylbutane-1,3-diamine

C15H32N2 — CID 79408443

IUPAC3-N-(cyclopentylmethyl)-3-N,2-dimethyl-1-N-propylbutane-1,3-diamine
SMILESCCCNCC(C)C(C)N(C)CC1CCCC1
InChIInChI=1S/C15H32N2/c1-5-10-16-11-13(2)14(3)17(4)12-15-8-6-7-9-15/h13-16H,5-12H2,1-4H3
InChIKeyVFBVZJGGANOEJX-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.13
Rot. Bonds8

About 3-N-(cyclopentylmethyl)-3-N,2-dimethyl-1-N-propylbutane-1,3-diamine

3-N-(cyclopentylmethyl)-3-N,2-dimethyl-1-N-propylbutane-1,3-diamine (PubChem CID 79408443) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 3-N-(cyclopentylmethyl)-3-N,2-dimethyl-1-N-propylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-(cyclopentylmethyl)-3-N,2-dimethyl-1-N-propylbutane-1,3-diamine
PubChem CID79408443
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name3-N-(cyclopentylmethyl)-3-N,2-dimethyl-1-N-propylbutane-1,3-diamine
SMILESCCCNCC(C)C(C)N(C)CC1CCCC1
InChIInChI=1S/C15H32N2/c1-5-10-16-11-13(2)14(3)17(4)12-15-8-6-7-9-15/h13-16H,5-12H2,1-4H3
InChIKeyVFBVZJGGANOEJX-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-N-(cyclopentylmethyl)-3-N,2-dimethyl-1-N-propylbutane-1,3-diamine?
The IUPAC name of 3-N-(cyclopentylmethyl)-3-N,2-dimethyl-1-N-propylbutane-1,3-diamine (CID 79408443) is 3-N-(cyclopentylmethyl)-3-N,2-dimethyl-1-N-propylbutane-1,3-diamine.
What is the SMILES notation for 3-N-(cyclopentylmethyl)-3-N,2-dimethyl-1-N-propylbutane-1,3-diamine?
The canonical SMILES for 3-N-(cyclopentylmethyl)-3-N,2-dimethyl-1-N-propylbutane-1,3-diamine is CCCNCC(C)C(C)N(C)CC1CCCC1.
What is the InChIKey of 3-N-(cyclopentylmethyl)-3-N,2-dimethyl-1-N-propylbutane-1,3-diamine?
The InChIKey is VFBVZJGGANOEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-5-10-16-11-13(2)14(3)17(4)12-15-8-6-7-9-15/h13-16H,5-12H2,1-4H3.
What are the key properties of 3-N-(cyclopentylmethyl)-3-N,2-dimethyl-1-N-propylbutane-1,3-diamine?
3-N-(cyclopentylmethyl)-3-N,2-dimethyl-1-N-propylbutane-1,3-diamine has a molecular weight of 240.43 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(cyclopentylmethyl)-3-N,2-dimethyl-1-N-propylbutane-1,3-diamine is sourced from PubChem (CID 79408443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).