butane-1,4-diamine;hexan-1-amine

C10H27N3 — CID 162097736

IUPACbutane-1,4-diamine;hexan-1-amine
SMILESCCCCCCN.NCCCCN
InChIInChI=1S/C6H15N.C4H12N2/c1-2-3-4-5-6-7;5-3-1-2-4-6/h2-7H2,1H3;1-6H2
InChIKeyZEMAMBLMXGJNDS-UHFFFAOYSA-N
MW189.35 g/mol
LogP1.21
Rot. Bonds7

About butane-1,4-diamine;hexan-1-amine

butane-1,4-diamine;hexan-1-amine (PubChem CID 162097736) has the molecular formula C10H27N3 and a molecular weight of 189.35 g/mol. Its IUPAC name is butane-1,4-diamine;hexan-1-amine.

Molecular Properties

Compound Namebutane-1,4-diamine;hexan-1-amine
PubChem CID162097736
Molecular FormulaC10H27N3
Molecular Weight189.35 g/mol
Exact Mass189.22
IUPAC Namebutane-1,4-diamine;hexan-1-amine
SMILESCCCCCCN.NCCCCN
InChIInChI=1S/C6H15N.C4H12N2/c1-2-3-4-5-6-7;5-3-1-2-4-6/h2-7H2,1H3;1-6H2
InChIKeyZEMAMBLMXGJNDS-UHFFFAOYSA-N
XLogP1.21
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.35
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tridecan-1-amine;undecan-1-amine
CID 23045943
decan-1-amine;hexan-1-amine
CID 162216125
hexacosan-1-amine
CID 14550481
dotetracontan-1-amine
CID 14550497
tetracosan-1-amine;hydrobromide
CID 175600580
decane;decane-1,10-diamine;methanediamine
CID 158649191
octadecan-1-amine;titanium
CID 174493472
copper;hexan-1-amine
CID 87269039
nonan-1-amine;dihydrate
CID 174770026
octadecan-1-amine;trihydrochloride
CID 175177898
hexadecan-1-amine;zinc
CID 175602655
pentadecan-1-amine;hydrobromide
CID 173087623

Frequently Asked Questions

What is the IUPAC name of butane-1,4-diamine;hexan-1-amine?
The IUPAC name of butane-1,4-diamine;hexan-1-amine (CID 162097736) is butane-1,4-diamine;hexan-1-amine.
What is the SMILES notation for butane-1,4-diamine;hexan-1-amine?
The canonical SMILES for butane-1,4-diamine;hexan-1-amine is CCCCCCN.NCCCCN.
What is the InChIKey of butane-1,4-diamine;hexan-1-amine?
The InChIKey is ZEMAMBLMXGJNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C4H12N2/c1-2-3-4-5-6-7;5-3-1-2-4-6/h2-7H2,1H3;1-6H2.
What are the key properties of butane-1,4-diamine;hexan-1-amine?
butane-1,4-diamine;hexan-1-amine has a molecular weight of 189.35 g/mol, XLogP of 1.21, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butane-1,4-diamine;hexan-1-amine is sourced from PubChem (CID 162097736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).