4-N,4-N-dibutylpentane-2,4-diamine

C13H30N2 — CID 64708414

IUPAC4-N,4-N-dibutylpentane-2,4-diamine
SMILESCCCCN(CCCC)C(C)CC(C)N
InChIInChI=1S/C13H30N2/c1-5-7-9-15(10-8-6-2)13(4)11-12(3)14/h12-13H,5-11,14H2,1-4H3
InChIKeyDVBMQSSFLSJXEK-UHFFFAOYSA-N
MW214.40 g/mol
LogP3.01
Rot. Bonds9

About 4-N,4-N-dibutylpentane-2,4-diamine

4-N,4-N-dibutylpentane-2,4-diamine (PubChem CID 64708414) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is 4-N,4-N-dibutylpentane-2,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dibutylpentane-2,4-diamine
PubChem CID64708414
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC Name4-N,4-N-dibutylpentane-2,4-diamine
SMILESCCCCN(CCCC)C(C)CC(C)N
InChIInChI=1S/C13H30N2/c1-5-7-9-15(10-8-6-2)13(4)11-12(3)14/h12-13H,5-11,14H2,1-4H3
InChIKeyDVBMQSSFLSJXEK-UHFFFAOYSA-N
XLogP3.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.40
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dibutylpentane-2,4-diamine?
The IUPAC name of 4-N,4-N-dibutylpentane-2,4-diamine (CID 64708414) is 4-N,4-N-dibutylpentane-2,4-diamine.
What is the SMILES notation for 4-N,4-N-dibutylpentane-2,4-diamine?
The canonical SMILES for 4-N,4-N-dibutylpentane-2,4-diamine is CCCCN(CCCC)C(C)CC(C)N.
What is the InChIKey of 4-N,4-N-dibutylpentane-2,4-diamine?
The InChIKey is DVBMQSSFLSJXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2/c1-5-7-9-15(10-8-6-2)13(4)11-12(3)14/h12-13H,5-11,14H2,1-4H3.
What are the key properties of 4-N,4-N-dibutylpentane-2,4-diamine?
4-N,4-N-dibutylpentane-2,4-diamine has a molecular weight of 214.40 g/mol, XLogP of 3.01, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dibutylpentane-2,4-diamine is sourced from PubChem (CID 64708414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).