N,N'-bis(cyclopentylmethyl)butane-1,4-diamine

C16H32N2 — CID 6480883

IUPACN,N'-bis(cyclopentylmethyl)butane-1,4-diamine
SMILESC(CCNCC1CCCC1)CNCC1CCCC1
InChIInChI=1S/C16H32N2/c1-2-8-15(7-1)13-17-11-5-6-12-18-14-16-9-3-4-10-16/h15-18H,1-14H2
InChIKeySKGZUGXHBBGNOK-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.33
Rot. Bonds9

About N,N'-bis(cyclopentylmethyl)butane-1,4-diamine

N,N'-bis(cyclopentylmethyl)butane-1,4-diamine (PubChem CID 6480883) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is N,N'-bis(cyclopentylmethyl)butane-1,4-diamine.

Molecular Properties

Compound NameN,N'-bis(cyclopentylmethyl)butane-1,4-diamine
PubChem CID6480883
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN,N'-bis(cyclopentylmethyl)butane-1,4-diamine
SMILESC(CCNCC1CCCC1)CNCC1CCCC1
InChIInChI=1S/C16H32N2/c1-2-8-15(7-1)13-17-11-5-6-12-18-14-16-9-3-4-10-16/h15-18H,1-14H2
InChIKeySKGZUGXHBBGNOK-UHFFFAOYSA-N
XLogP3.33
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.33
H-Bond Donors ≤ 52
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'-bis(cyclopentylmethyl)butane-1,4-diamine?
The IUPAC name of N,N'-bis(cyclopentylmethyl)butane-1,4-diamine (CID 6480883) is N,N'-bis(cyclopentylmethyl)butane-1,4-diamine.
What is the SMILES notation for N,N'-bis(cyclopentylmethyl)butane-1,4-diamine?
The canonical SMILES for N,N'-bis(cyclopentylmethyl)butane-1,4-diamine is C(CCNCC1CCCC1)CNCC1CCCC1.
What is the InChIKey of N,N'-bis(cyclopentylmethyl)butane-1,4-diamine?
The InChIKey is SKGZUGXHBBGNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-2-8-15(7-1)13-17-11-5-6-12-18-14-16-9-3-4-10-16/h15-18H,1-14H2.
What are the key properties of N,N'-bis(cyclopentylmethyl)butane-1,4-diamine?
N,N'-bis(cyclopentylmethyl)butane-1,4-diamine has a molecular weight of 252.45 g/mol, XLogP of 3.33, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(cyclopentylmethyl)butane-1,4-diamine is sourced from PubChem (CID 6480883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).