3-N-ethyl-3-N-(2-methylbutyl)heptane-3,4-diamine

C14H32N2 — CID 79477732

IUPAC3-N-ethyl-3-N-(2-methylbutyl)heptane-3,4-diamine
SMILESCCCC(N)C(CC)N(CC)CC(C)CC
InChIInChI=1S/C14H32N2/c1-6-10-13(15)14(8-3)16(9-4)11-12(5)7-2/h12-14H,6-11,15H2,1-5H3
InChIKeyVFNIBZAAKSVBBX-UHFFFAOYSA-N
MW228.42 g/mol
LogP3.26
Rot. Bonds9

About 3-N-ethyl-3-N-(2-methylbutyl)heptane-3,4-diamine

3-N-ethyl-3-N-(2-methylbutyl)heptane-3,4-diamine (PubChem CID 79477732) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is 3-N-ethyl-3-N-(2-methylbutyl)heptane-3,4-diamine.

Molecular Properties

Compound Name3-N-ethyl-3-N-(2-methylbutyl)heptane-3,4-diamine
PubChem CID79477732
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC Name3-N-ethyl-3-N-(2-methylbutyl)heptane-3,4-diamine
SMILESCCCC(N)C(CC)N(CC)CC(C)CC
InChIInChI=1S/C14H32N2/c1-6-10-13(15)14(8-3)16(9-4)11-12(5)7-2/h12-14H,6-11,15H2,1-5H3
InChIKeyVFNIBZAAKSVBBX-UHFFFAOYSA-N
XLogP3.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.42
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-3-N-(2-methylbutyl)heptane-3,4-diamine?
The IUPAC name of 3-N-ethyl-3-N-(2-methylbutyl)heptane-3,4-diamine (CID 79477732) is 3-N-ethyl-3-N-(2-methylbutyl)heptane-3,4-diamine.
What is the SMILES notation for 3-N-ethyl-3-N-(2-methylbutyl)heptane-3,4-diamine?
The canonical SMILES for 3-N-ethyl-3-N-(2-methylbutyl)heptane-3,4-diamine is CCCC(N)C(CC)N(CC)CC(C)CC.
What is the InChIKey of 3-N-ethyl-3-N-(2-methylbutyl)heptane-3,4-diamine?
The InChIKey is VFNIBZAAKSVBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2/c1-6-10-13(15)14(8-3)16(9-4)11-12(5)7-2/h12-14H,6-11,15H2,1-5H3.
What are the key properties of 3-N-ethyl-3-N-(2-methylbutyl)heptane-3,4-diamine?
3-N-ethyl-3-N-(2-methylbutyl)heptane-3,4-diamine has a molecular weight of 228.42 g/mol, XLogP of 3.26, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-3-N-(2-methylbutyl)heptane-3,4-diamine is sourced from PubChem (CID 79477732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).