2-propylpentane-1,1,1,2-tetramine

C8H22N4 — CID 141463069

IUPAC2-propylpentane-1,1,1,2-tetramine
SMILESCCCC(N)(CCC)C(N)(N)N
InChIInChI=1S/C8H22N4/c1-3-5-7(9,6-4-2)8(10,11)12/h3-6,9-12H2,1-2H3
InChIKeyMZMBHBBGYPJNPH-UHFFFAOYSA-N
MW174.29 g/mol
LogP-0.19
Rot. Bonds5

About 2-propylpentane-1,1,1,2-tetramine

2-propylpentane-1,1,1,2-tetramine (PubChem CID 141463069) has the molecular formula C8H22N4 and a molecular weight of 174.29 g/mol. Its IUPAC name is 2-propylpentane-1,1,1,2-tetramine.

Molecular Properties

Compound Name2-propylpentane-1,1,1,2-tetramine
PubChem CID141463069
Molecular FormulaC8H22N4
Molecular Weight174.29 g/mol
Exact Mass174.18
IUPAC Name2-propylpentane-1,1,1,2-tetramine
SMILESCCCC(N)(CCC)C(N)(N)N
InChIInChI=1S/C8H22N4/c1-3-5-7(9,6-4-2)8(10,11)12/h3-6,9-12H2,1-2H3
InChIKeyMZMBHBBGYPJNPH-UHFFFAOYSA-N
XLogP-0.19
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 5-0.19
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

3-ethyl-2,2-dimethylhexan-3-amine
CID 54104973
hexane-3,3-diamine
CID 18331048
6,7-dipentyldodecane-6,7-diamine
CID 23346628
azane;3-ethylhexan-3-amine
CID 18676269
2-iodopentan-2-amine
CID 144517487
1,1,1-trifluoro-3-methylhexan-3-amine
CID 131227924
3,3,4-trimethylheptan-4-amine
CID 139427507
2,2,4-trimethylheptane-1,4-diamine
CID 175307929
hex-1-ene-3,3-diamine
CID 167559937
4-ethynylheptan-4-amine
CID 3046207
2,4-dimethylhept-1-en-4-amine
CID 152808962
CID 89340269
CID 89340269

Frequently Asked Questions

What is the IUPAC name of 2-propylpentane-1,1,1,2-tetramine?
The IUPAC name of 2-propylpentane-1,1,1,2-tetramine (CID 141463069) is 2-propylpentane-1,1,1,2-tetramine.
What is the SMILES notation for 2-propylpentane-1,1,1,2-tetramine?
The canonical SMILES for 2-propylpentane-1,1,1,2-tetramine is CCCC(N)(CCC)C(N)(N)N.
What is the InChIKey of 2-propylpentane-1,1,1,2-tetramine?
The InChIKey is MZMBHBBGYPJNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H22N4/c1-3-5-7(9,6-4-2)8(10,11)12/h3-6,9-12H2,1-2H3.
What are the key properties of 2-propylpentane-1,1,1,2-tetramine?
2-propylpentane-1,1,1,2-tetramine has a molecular weight of 174.29 g/mol, XLogP of -0.19, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propylpentane-1,1,1,2-tetramine is sourced from PubChem (CID 141463069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).