N,N'-bis(cyclopentylmethyl)hexane-1,6-diamine

C18H36N2 — CID 6480884

IUPACN,N'-bis(cyclopentylmethyl)hexane-1,6-diamine
SMILESC(CCCNCC1CCCC1)CCNCC1CCCC1
InChIInChI=1S/C18H36N2/c1(7-13-19-15-17-9-3-4-10-17)2-8-14-20-16-18-11-5-6-12-18/h17-20H,1-16H2
InChIKeyCFKGSCSUTRYEGC-UHFFFAOYSA-N
MW280.50 g/mol
LogP4.11
Rot. Bonds11

About N,N'-bis(cyclopentylmethyl)hexane-1,6-diamine

N,N'-bis(cyclopentylmethyl)hexane-1,6-diamine (PubChem CID 6480884) has the molecular formula C18H36N2 and a molecular weight of 280.50 g/mol. Its IUPAC name is N,N'-bis(cyclopentylmethyl)hexane-1,6-diamine.

Molecular Properties

Compound NameN,N'-bis(cyclopentylmethyl)hexane-1,6-diamine
PubChem CID6480884
Molecular FormulaC18H36N2
Molecular Weight280.50 g/mol
Exact Mass280.29
IUPAC NameN,N'-bis(cyclopentylmethyl)hexane-1,6-diamine
SMILESC(CCCNCC1CCCC1)CCNCC1CCCC1
InChIInChI=1S/C18H36N2/c1(7-13-19-15-17-9-3-4-10-17)2-8-14-20-16-18-11-5-6-12-18/h17-20H,1-16H2
InChIKeyCFKGSCSUTRYEGC-UHFFFAOYSA-N
XLogP4.11
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 54.11
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)hexane-1,6-diamine?
The IUPAC name of N,N'-bis(cyclopentylmethyl)hexane-1,6-diamine (CID 6480884) is N,N'-bis(cyclopentylmethyl)hexane-1,6-diamine.
What is the SMILES notation for N,N'-bis(cyclopentylmethyl)hexane-1,6-diamine?
The canonical SMILES for N,N'-bis(cyclopentylmethyl)hexane-1,6-diamine is C(CCCNCC1CCCC1)CCNCC1CCCC1.
What is the InChIKey of N,N'-bis(cyclopentylmethyl)hexane-1,6-diamine?
The InChIKey is CFKGSCSUTRYEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2/c1(7-13-19-15-17-9-3-4-10-17)2-8-14-20-16-18-11-5-6-12-18/h17-20H,1-16H2.
What are the key properties of N,N'-bis(cyclopentylmethyl)hexane-1,6-diamine?
N,N'-bis(cyclopentylmethyl)hexane-1,6-diamine has a molecular weight of 280.50 g/mol, XLogP of 4.11, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(cyclopentylmethyl)hexane-1,6-diamine is sourced from PubChem (CID 6480884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).