N'-(cyclobutylmethyl)-N'-methyl-N-(2-methylpropyl)pentane-1,5-diamine

C15H32N2 — CID 62854578

IUPACN'-(cyclobutylmethyl)-N'-methyl-N-(2-methylpropyl)pentane-1,5-diamine
SMILESCC(C)CNCCCCCN(C)CC1CCC1
InChIInChI=1S/C15H32N2/c1-14(2)12-16-10-5-4-6-11-17(3)13-15-8-7-9-15/h14-16H,4-13H2,1-3H3
InChIKeyJDRKCHIKYAVMCP-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.13
Rot. Bonds10

About N'-(cyclobutylmethyl)-N'-methyl-N-(2-methylpropyl)pentane-1,5-diamine

N'-(cyclobutylmethyl)-N'-methyl-N-(2-methylpropyl)pentane-1,5-diamine (PubChem CID 62854578) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is N'-(cyclobutylmethyl)-N'-methyl-N-(2-methylpropyl)pentane-1,5-diamine.

Molecular Properties

Compound NameN'-(cyclobutylmethyl)-N'-methyl-N-(2-methylpropyl)pentane-1,5-diamine
PubChem CID62854578
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC NameN'-(cyclobutylmethyl)-N'-methyl-N-(2-methylpropyl)pentane-1,5-diamine
SMILESCC(C)CNCCCCCN(C)CC1CCC1
InChIInChI=1S/C15H32N2/c1-14(2)12-16-10-5-4-6-11-17(3)13-15-8-7-9-15/h14-16H,4-13H2,1-3H3
InChIKeyJDRKCHIKYAVMCP-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
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 N'-(cyclobutylmethyl)-N'-methyl-N-(2-methylpropyl)pentane-1,5-diamine?
The IUPAC name of N'-(cyclobutylmethyl)-N'-methyl-N-(2-methylpropyl)pentane-1,5-diamine (CID 62854578) is N'-(cyclobutylmethyl)-N'-methyl-N-(2-methylpropyl)pentane-1,5-diamine.
What is the SMILES notation for N'-(cyclobutylmethyl)-N'-methyl-N-(2-methylpropyl)pentane-1,5-diamine?
The canonical SMILES for N'-(cyclobutylmethyl)-N'-methyl-N-(2-methylpropyl)pentane-1,5-diamine is CC(C)CNCCCCCN(C)CC1CCC1.
What is the InChIKey of N'-(cyclobutylmethyl)-N'-methyl-N-(2-methylpropyl)pentane-1,5-diamine?
The InChIKey is JDRKCHIKYAVMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-14(2)12-16-10-5-4-6-11-17(3)13-15-8-7-9-15/h14-16H,4-13H2,1-3H3.
What are the key properties of N'-(cyclobutylmethyl)-N'-methyl-N-(2-methylpropyl)pentane-1,5-diamine?
N'-(cyclobutylmethyl)-N'-methyl-N-(2-methylpropyl)pentane-1,5-diamine has a molecular weight of 240.43 g/mol, XLogP of 3.13, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclobutylmethyl)-N'-methyl-N-(2-methylpropyl)pentane-1,5-diamine is sourced from PubChem (CID 62854578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).