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

C18H42N4 — CID 21260857

IUPACN',N'-bis(6-aminohexyl)hexane-1,6-diamine
SMILESNCCCCCCN(CCCCCCN)CCCCCCN
InChIInChI=1S/C18H42N4/c19-13-7-1-4-10-16-22(17-11-5-2-8-14-20)18-12-6-3-9-15-21/h1-21H2
InChIKeyWZZNBXDRUFBACR-UHFFFAOYSA-N
MW314.56 g/mol
LogP2.85
Rot. Bonds18

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

N',N'-bis(6-aminohexyl)hexane-1,6-diamine (PubChem CID 21260857) has the molecular formula C18H42N4 and a molecular weight of 314.56 g/mol. Its IUPAC name is N',N'-bis(6-aminohexyl)hexane-1,6-diamine.

Molecular Properties

Compound NameN',N'-bis(6-aminohexyl)hexane-1,6-diamine
PubChem CID21260857
Molecular FormulaC18H42N4
Molecular Weight314.56 g/mol
Exact Mass314.34
IUPAC NameN',N'-bis(6-aminohexyl)hexane-1,6-diamine
SMILESNCCCCCCN(CCCCCCN)CCCCCCN
InChIInChI=1S/C18H42N4/c19-13-7-1-4-10-16-22(17-11-5-2-8-14-20)18-12-6-3-9-15-21/h1-21H2
InChIKeyWZZNBXDRUFBACR-UHFFFAOYSA-N
XLogP2.85
TPSA81.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.56
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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(6-aminohexyl)hexane-1,6-diamine?
The IUPAC name of N',N'-bis(6-aminohexyl)hexane-1,6-diamine (CID 21260857) is N',N'-bis(6-aminohexyl)hexane-1,6-diamine.
What is the SMILES notation for N',N'-bis(6-aminohexyl)hexane-1,6-diamine?
The canonical SMILES for N',N'-bis(6-aminohexyl)hexane-1,6-diamine is NCCCCCCN(CCCCCCN)CCCCCCN.
What is the InChIKey of N',N'-bis(6-aminohexyl)hexane-1,6-diamine?
The InChIKey is WZZNBXDRUFBACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H42N4/c19-13-7-1-4-10-16-22(17-11-5-2-8-14-20)18-12-6-3-9-15-21/h1-21H2.
What are the key properties of N',N'-bis(6-aminohexyl)hexane-1,6-diamine?
N',N'-bis(6-aminohexyl)hexane-1,6-diamine has a molecular weight of 314.56 g/mol, XLogP of 2.85, 18 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-bis(6-aminohexyl)hexane-1,6-diamine is sourced from PubChem (CID 21260857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).