2,2,3-trimethylheptane-3,4-diamine

C10H24N2 — CID 23202047

IUPAC2,2,3-trimethylheptane-3,4-diamine
SMILESCCCC(N)C(C)(N)C(C)(C)C
InChIInChI=1S/C10H24N2/c1-6-7-8(11)10(5,12)9(2,3)4/h8H,6-7,11-12H2,1-5H3
InChIKeyPSIGBMUIGADJBT-UHFFFAOYSA-N
MW172.32 g/mol
LogP1.88
Rot. Bonds3

About 2,2,3-trimethylheptane-3,4-diamine

2,2,3-trimethylheptane-3,4-diamine (PubChem CID 23202047) has the molecular formula C10H24N2 and a molecular weight of 172.32 g/mol. Its IUPAC name is 2,2,3-trimethylheptane-3,4-diamine.

Molecular Properties

Compound Name2,2,3-trimethylheptane-3,4-diamine
PubChem CID23202047
Molecular FormulaC10H24N2
Molecular Weight172.32 g/mol
Exact Mass172.19
IUPAC Name2,2,3-trimethylheptane-3,4-diamine
SMILESCCCC(N)C(C)(N)C(C)(C)C
InChIInChI=1S/C10H24N2/c1-6-7-8(11)10(5,12)9(2,3)4/h8H,6-7,11-12H2,1-5H3
InChIKeyPSIGBMUIGADJBT-UHFFFAOYSA-N
XLogP1.88
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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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Related Compounds

4-amino-5-methylnonane-5-thiol
CID 146564263
(2R)-1,1,1-trifluoropentan-2-amine
CID 56604220
4,5-diaminodecan-5-ol
CID 155745471
(3S)-2-ethoxy-2-methylhexan-3-amine
CID 104932360
3-chloro-3-ethylheptan-4-amine
CID 174496407
4-aminoheptane-1,3,3-triol
CID 140684101
3-ethoxy-3-methylheptan-4-amine
CID 116758519
4,4-dimethylnonan-5-amine
CID 87513740
2-methyldecane-2,3-diamine
CID 87934186
3-ethylnonane-3,6-diamine
CID 87587189
methyl 3-amino-2,2-dimethylhexanoate
CID 115014178
(4R,5R)-octane-4,5-diamine
CID 13138963

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethylheptane-3,4-diamine?
The IUPAC name of 2,2,3-trimethylheptane-3,4-diamine (CID 23202047) is 2,2,3-trimethylheptane-3,4-diamine.
What is the SMILES notation for 2,2,3-trimethylheptane-3,4-diamine?
The canonical SMILES for 2,2,3-trimethylheptane-3,4-diamine is CCCC(N)C(C)(N)C(C)(C)C.
What is the InChIKey of 2,2,3-trimethylheptane-3,4-diamine?
The InChIKey is PSIGBMUIGADJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2/c1-6-7-8(11)10(5,12)9(2,3)4/h8H,6-7,11-12H2,1-5H3.
What are the key properties of 2,2,3-trimethylheptane-3,4-diamine?
2,2,3-trimethylheptane-3,4-diamine has a molecular weight of 172.32 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethylheptane-3,4-diamine is sourced from PubChem (CID 23202047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).