hexane-1,1,1,4-tetramine

C6H18N4 — CID 91202489

IUPAChexane-1,1,1,4-tetramine
SMILESCCC(N)CCC(N)(N)N
InChIInChI=1S/C6H18N4/c1-2-5(7)3-4-6(8,9)10/h5H,2-4,7-10H2,1H3
InChIKeyBGDGPGIIQHZSGU-UHFFFAOYSA-N
MW146.24 g/mol
LogP-0.97
Rot. Bonds4

About hexane-1,1,1,4-tetramine

hexane-1,1,1,4-tetramine (PubChem CID 91202489) has the molecular formula C6H18N4 and a molecular weight of 146.24 g/mol. Its IUPAC name is hexane-1,1,1,4-tetramine.

Molecular Properties

Compound Namehexane-1,1,1,4-tetramine
PubChem CID91202489
Molecular FormulaC6H18N4
Molecular Weight146.24 g/mol
Exact Mass146.15
IUPAC Namehexane-1,1,1,4-tetramine
SMILESCCC(N)CCC(N)(N)N
InChIInChI=1S/C6H18N4/c1-2-5(7)3-4-6(8,9)10/h5H,2-4,7-10H2,1H3
InChIKeyBGDGPGIIQHZSGU-UHFFFAOYSA-N
XLogP-0.97
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.24
LogP ≤ 5-0.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-Aminoheptane
CID 5603
3-Heptanamine
CID 34203
2-Hexanamine
CID 21405
(2S)-heptan-2-amine
CID 2734517
(2R)-heptan-2-amine
CID 6992808
Hexane-2,5-diamine
CID 14849721
Hexanediamine
CID 134940
2-Hexanamine, (R)-
CID 6993464
(S)-2-Aminohexane
CID 6999846
1,4-Pentanediamine
CID 550880
1,4-Dimethylputrescine
CID 162247
Hexan-3-aminium
CID 18463188

Frequently Asked Questions

What is the IUPAC name of hexane-1,1,1,4-tetramine?
The IUPAC name of hexane-1,1,1,4-tetramine (CID 91202489) is hexane-1,1,1,4-tetramine.
What is the SMILES notation for hexane-1,1,1,4-tetramine?
The canonical SMILES for hexane-1,1,1,4-tetramine is CCC(N)CCC(N)(N)N.
What is the InChIKey of hexane-1,1,1,4-tetramine?
The InChIKey is BGDGPGIIQHZSGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H18N4/c1-2-5(7)3-4-6(8,9)10/h5H,2-4,7-10H2,1H3.
What are the key properties of hexane-1,1,1,4-tetramine?
hexane-1,1,1,4-tetramine has a molecular weight of 146.24 g/mol, XLogP of -0.97, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hexane-1,1,1,4-tetramine is sourced from PubChem (CID 91202489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).