2,2,4-trimethylheptane-1,4-diamine

C10H24N2 — CID 175307929

IUPAC2,2,4-trimethylheptane-1,4-diamine
SMILESCCCC(C)(N)CC(C)(C)CN
InChIInChI=1S/C10H24N2/c1-5-6-10(4,12)7-9(2,3)8-11/h5-8,11-12H2,1-4H3
InChIKeyLNBHTPASAHTSAY-UHFFFAOYSA-N
MW172.32 g/mol
LogP1.88
Rot. Bonds5

About 2,2,4-trimethylheptane-1,4-diamine

2,2,4-trimethylheptane-1,4-diamine (PubChem CID 175307929) has the molecular formula C10H24N2 and a molecular weight of 172.32 g/mol. Its IUPAC name is 2,2,4-trimethylheptane-1,4-diamine.

Molecular Properties

Compound Name2,2,4-trimethylheptane-1,4-diamine
PubChem CID175307929
Molecular FormulaC10H24N2
Molecular Weight172.32 g/mol
Exact Mass172.19
IUPAC Name2,2,4-trimethylheptane-1,4-diamine
SMILESCCCC(C)(N)CC(C)(C)CN
InChIInChI=1S/C10H24N2/c1-5-6-10(4,12)7-9(2,3)8-11/h5-8,11-12H2,1-4H3
InChIKeyLNBHTPASAHTSAY-UHFFFAOYSA-N
XLogP1.88
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.32
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethylheptane-1,4-diamine?
The IUPAC name of 2,2,4-trimethylheptane-1,4-diamine (CID 175307929) is 2,2,4-trimethylheptane-1,4-diamine.
What is the SMILES notation for 2,2,4-trimethylheptane-1,4-diamine?
The canonical SMILES for 2,2,4-trimethylheptane-1,4-diamine is CCCC(C)(N)CC(C)(C)CN.
What is the InChIKey of 2,2,4-trimethylheptane-1,4-diamine?
The InChIKey is LNBHTPASAHTSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2/c1-5-6-10(4,12)7-9(2,3)8-11/h5-8,11-12H2,1-4H3.
What are the key properties of 2,2,4-trimethylheptane-1,4-diamine?
2,2,4-trimethylheptane-1,4-diamine has a molecular weight of 172.32 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethylheptane-1,4-diamine is sourced from PubChem (CID 175307929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).