1-N,1-N,2-trimethylpentane-1,3,5-triamine

C8H21N3 — CID 87352361

IUPAC1-N,1-N,2-trimethylpentane-1,3,5-triamine
SMILESCC(CN(C)C)C(N)CCN
InChIInChI=1S/C8H21N3/c1-7(6-11(2)3)8(10)4-5-9/h7-8H,4-6,9-10H2,1-3H3
InChIKeyQYYXZZDMCAEMTH-UHFFFAOYSA-N
MW159.28 g/mol
LogP-0.14
Rot. Bonds5

About 1-N,1-N,2-trimethylpentane-1,3,5-triamine

1-N,1-N,2-trimethylpentane-1,3,5-triamine (PubChem CID 87352361) has the molecular formula C8H21N3 and a molecular weight of 159.28 g/mol. Its IUPAC name is 1-N,1-N,2-trimethylpentane-1,3,5-triamine.

Molecular Properties

Compound Name1-N,1-N,2-trimethylpentane-1,3,5-triamine
PubChem CID87352361
Molecular FormulaC8H21N3
Molecular Weight159.28 g/mol
Exact Mass159.17
IUPAC Name1-N,1-N,2-trimethylpentane-1,3,5-triamine
SMILESCC(CN(C)C)C(N)CCN
InChIInChI=1S/C8H21N3/c1-7(6-11(2)3)8(10)4-5-9/h7-8H,4-6,9-10H2,1-3H3
InChIKeyQYYXZZDMCAEMTH-UHFFFAOYSA-N
XLogP-0.14
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.28
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,2-trimethylpentane-1,3,5-triamine?
The IUPAC name of 1-N,1-N,2-trimethylpentane-1,3,5-triamine (CID 87352361) is 1-N,1-N,2-trimethylpentane-1,3,5-triamine.
What is the SMILES notation for 1-N,1-N,2-trimethylpentane-1,3,5-triamine?
The canonical SMILES for 1-N,1-N,2-trimethylpentane-1,3,5-triamine is CC(CN(C)C)C(N)CCN.
What is the InChIKey of 1-N,1-N,2-trimethylpentane-1,3,5-triamine?
The InChIKey is QYYXZZDMCAEMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N3/c1-7(6-11(2)3)8(10)4-5-9/h7-8H,4-6,9-10H2,1-3H3.
What are the key properties of 1-N,1-N,2-trimethylpentane-1,3,5-triamine?
1-N,1-N,2-trimethylpentane-1,3,5-triamine has a molecular weight of 159.28 g/mol, XLogP of -0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,2-trimethylpentane-1,3,5-triamine is sourced from PubChem (CID 87352361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).