N',N'-dibutyl-N-(cyclopentylmethyl)ethane-1,2-diamine

C16H34N2 — CID 63503881

IUPACN',N'-dibutyl-N-(cyclopentylmethyl)ethane-1,2-diamine
SMILESCCCCN(CCCC)CCNCC1CCCC1
InChIInChI=1S/C16H34N2/c1-3-5-12-18(13-6-4-2)14-11-17-15-16-9-7-8-10-16/h16-17H,3-15H2,1-2H3
InChIKeySQLKRWIIAJOUQU-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.67
Rot. Bonds11

About N',N'-dibutyl-N-(cyclopentylmethyl)ethane-1,2-diamine

N',N'-dibutyl-N-(cyclopentylmethyl)ethane-1,2-diamine (PubChem CID 63503881) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is N',N'-dibutyl-N-(cyclopentylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dibutyl-N-(cyclopentylmethyl)ethane-1,2-diamine
PubChem CID63503881
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC NameN',N'-dibutyl-N-(cyclopentylmethyl)ethane-1,2-diamine
SMILESCCCCN(CCCC)CCNCC1CCCC1
InChIInChI=1S/C16H34N2/c1-3-5-12-18(13-6-4-2)14-11-17-15-16-9-7-8-10-16/h16-17H,3-15H2,1-2H3
InChIKeySQLKRWIIAJOUQU-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.67
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',N'-dibutyl-N-(cyclopentylmethyl)ethane-1,2-diamine?
The IUPAC name of N',N'-dibutyl-N-(cyclopentylmethyl)ethane-1,2-diamine (CID 63503881) is N',N'-dibutyl-N-(cyclopentylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-dibutyl-N-(cyclopentylmethyl)ethane-1,2-diamine?
The canonical SMILES for N',N'-dibutyl-N-(cyclopentylmethyl)ethane-1,2-diamine is CCCCN(CCCC)CCNCC1CCCC1.
What is the InChIKey of N',N'-dibutyl-N-(cyclopentylmethyl)ethane-1,2-diamine?
The InChIKey is SQLKRWIIAJOUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-3-5-12-18(13-6-4-2)14-11-17-15-16-9-7-8-10-16/h16-17H,3-15H2,1-2H3.
What are the key properties of N',N'-dibutyl-N-(cyclopentylmethyl)ethane-1,2-diamine?
N',N'-dibutyl-N-(cyclopentylmethyl)ethane-1,2-diamine has a molecular weight of 254.46 g/mol, XLogP of 3.67, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dibutyl-N-(cyclopentylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 63503881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).