2-ethyl-N',N',4-trimethylpentane-1,5-diamine

C10H24N2 — CID 170202582

IUPAC2-ethyl-N',N',4-trimethylpentane-1,5-diamine
SMILESCCC(CN)CC(C)CN(C)C
InChIInChI=1S/C10H24N2/c1-5-10(7-11)6-9(2)8-12(3)4/h9-10H,5-8,11H2,1-4H3
InChIKeyPHGRTIPUMVQWEG-UHFFFAOYSA-N
MW172.32 g/mol
LogP1.56
Rot. Bonds6

About 2-ethyl-N',N',4-trimethylpentane-1,5-diamine

2-ethyl-N',N',4-trimethylpentane-1,5-diamine (PubChem CID 170202582) has the molecular formula C10H24N2 and a molecular weight of 172.32 g/mol. Its IUPAC name is 2-ethyl-N',N',4-trimethylpentane-1,5-diamine.

Molecular Properties

Compound Name2-ethyl-N',N',4-trimethylpentane-1,5-diamine
PubChem CID170202582
Molecular FormulaC10H24N2
Molecular Weight172.32 g/mol
Exact Mass172.19
IUPAC Name2-ethyl-N',N',4-trimethylpentane-1,5-diamine
SMILESCCC(CN)CC(C)CN(C)C
InChIInChI=1S/C10H24N2/c1-5-10(7-11)6-9(2)8-12(3)4/h9-10H,5-8,11H2,1-4H3
InChIKeyPHGRTIPUMVQWEG-UHFFFAOYSA-N
XLogP1.56
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.32
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N',N',4-trimethylpentane-1,5-diamine?
The IUPAC name of 2-ethyl-N',N',4-trimethylpentane-1,5-diamine (CID 170202582) is 2-ethyl-N',N',4-trimethylpentane-1,5-diamine.
What is the SMILES notation for 2-ethyl-N',N',4-trimethylpentane-1,5-diamine?
The canonical SMILES for 2-ethyl-N',N',4-trimethylpentane-1,5-diamine is CCC(CN)CC(C)CN(C)C.
What is the InChIKey of 2-ethyl-N',N',4-trimethylpentane-1,5-diamine?
The InChIKey is PHGRTIPUMVQWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2/c1-5-10(7-11)6-9(2)8-12(3)4/h9-10H,5-8,11H2,1-4H3.
What are the key properties of 2-ethyl-N',N',4-trimethylpentane-1,5-diamine?
2-ethyl-N',N',4-trimethylpentane-1,5-diamine has a molecular weight of 172.32 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N',N',4-trimethylpentane-1,5-diamine is sourced from PubChem (CID 170202582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).