1-N,6-dimethylheptane-1,2,5-triamine

C9H23N3 — CID 142425880

IUPAC1-N,6-dimethylheptane-1,2,5-triamine
SMILESCNCC(N)CCC(N)C(C)C
InChIInChI=1S/C9H23N3/c1-7(2)9(11)5-4-8(10)6-12-3/h7-9,12H,4-6,10-11H2,1-3H3
InChIKeyIVMJISIPJHGELX-UHFFFAOYSA-N
MW173.30 g/mol
LogP0.30
Rot. Bonds6

About 1-N,6-dimethylheptane-1,2,5-triamine

1-N,6-dimethylheptane-1,2,5-triamine (PubChem CID 142425880) has the molecular formula C9H23N3 and a molecular weight of 173.30 g/mol. Its IUPAC name is 1-N,6-dimethylheptane-1,2,5-triamine.

Molecular Properties

Compound Name1-N,6-dimethylheptane-1,2,5-triamine
PubChem CID142425880
Molecular FormulaC9H23N3
Molecular Weight173.30 g/mol
Exact Mass173.19
IUPAC Name1-N,6-dimethylheptane-1,2,5-triamine
SMILESCNCC(N)CCC(N)C(C)C
InChIInChI=1S/C9H23N3/c1-7(2)9(11)5-4-8(10)6-12-3/h7-9,12H,4-6,10-11H2,1-3H3
InChIKeyIVMJISIPJHGELX-UHFFFAOYSA-N
XLogP0.30
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N,6-dimethylheptane-1,2,5-triamine?
The IUPAC name of 1-N,6-dimethylheptane-1,2,5-triamine (CID 142425880) is 1-N,6-dimethylheptane-1,2,5-triamine.
What is the SMILES notation for 1-N,6-dimethylheptane-1,2,5-triamine?
The canonical SMILES for 1-N,6-dimethylheptane-1,2,5-triamine is CNCC(N)CCC(N)C(C)C.
What is the InChIKey of 1-N,6-dimethylheptane-1,2,5-triamine?
The InChIKey is IVMJISIPJHGELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N3/c1-7(2)9(11)5-4-8(10)6-12-3/h7-9,12H,4-6,10-11H2,1-3H3.
What are the key properties of 1-N,6-dimethylheptane-1,2,5-triamine?
1-N,6-dimethylheptane-1,2,5-triamine has a molecular weight of 173.30 g/mol, XLogP of 0.30, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,6-dimethylheptane-1,2,5-triamine is sourced from PubChem (CID 142425880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).