2-N,2-N-bis(3-methylbutyl)pentane-1,2-diamine

C15H34N2 — CID 114011109

IUPAC2-N,2-N-bis(3-methylbutyl)pentane-1,2-diamine
SMILESCCCC(CN)N(CCC(C)C)CCC(C)C
InChIInChI=1S/C15H34N2/c1-6-7-15(12-16)17(10-8-13(2)3)11-9-14(4)5/h13-15H,6-12,16H2,1-5H3
InChIKeyDEMGLOUPLFEDAC-UHFFFAOYSA-N
MW242.45 g/mol
LogP3.51
Rot. Bonds10

About 2-N,2-N-bis(3-methylbutyl)pentane-1,2-diamine

2-N,2-N-bis(3-methylbutyl)pentane-1,2-diamine (PubChem CID 114011109) has the molecular formula C15H34N2 and a molecular weight of 242.45 g/mol. Its IUPAC name is 2-N,2-N-bis(3-methylbutyl)pentane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-bis(3-methylbutyl)pentane-1,2-diamine
PubChem CID114011109
Molecular FormulaC15H34N2
Molecular Weight242.45 g/mol
Exact Mass242.27
IUPAC Name2-N,2-N-bis(3-methylbutyl)pentane-1,2-diamine
SMILESCCCC(CN)N(CCC(C)C)CCC(C)C
InChIInChI=1S/C15H34N2/c1-6-7-15(12-16)17(10-8-13(2)3)11-9-14(4)5/h13-15H,6-12,16H2,1-5H3
InChIKeyDEMGLOUPLFEDAC-UHFFFAOYSA-N
XLogP3.51
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.45
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N,2-N-bis(3-methylbutyl)heptane-1,2-diamine
CID 107869478
2-N,2-N-bis(3-methylbutyl)nonane-1,2-diamine
CID 107869547
2-N,2-N-dibutylpentane-1,2-diamine
CID 43125906
3-methyl-2-N,2-N-bis(3-methylbutyl)hexane-1,2-diamine
CID 107869505
2-N,2-N-bis(2-methylpropyl)heptane-1,2-diamine
CID 55193032
2-N-propyl-2-N-prop-2-ynylpentane-1,2-diamine
CID 83044234
2-N-ethyl-2-N-(2-ethylbutyl)pentane-1,2-diamine
CID 61436765
2-methyl-3-N,3-N-bis(3-methylbutyl)butane-1,3-diamine
CID 107871349
2-N-propyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine
CID 78974653
2-N-ethyl-2-N-(2-methylpropyl)octane-1,2-diamine
CID 43273520
2-N-methyl-2-N-(3-methylbutyl)nonane-1,2-diamine
CID 55193416
ethanamine;2-methylpentane
CID 143240474

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-bis(3-methylbutyl)pentane-1,2-diamine?
The IUPAC name of 2-N,2-N-bis(3-methylbutyl)pentane-1,2-diamine (CID 114011109) is 2-N,2-N-bis(3-methylbutyl)pentane-1,2-diamine.
What is the SMILES notation for 2-N,2-N-bis(3-methylbutyl)pentane-1,2-diamine?
The canonical SMILES for 2-N,2-N-bis(3-methylbutyl)pentane-1,2-diamine is CCCC(CN)N(CCC(C)C)CCC(C)C.
What is the InChIKey of 2-N,2-N-bis(3-methylbutyl)pentane-1,2-diamine?
The InChIKey is DEMGLOUPLFEDAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2/c1-6-7-15(12-16)17(10-8-13(2)3)11-9-14(4)5/h13-15H,6-12,16H2,1-5H3.
What are the key properties of 2-N,2-N-bis(3-methylbutyl)pentane-1,2-diamine?
2-N,2-N-bis(3-methylbutyl)pentane-1,2-diamine has a molecular weight of 242.45 g/mol, XLogP of 3.51, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-bis(3-methylbutyl)pentane-1,2-diamine is sourced from PubChem (CID 114011109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).