2-N,2-diethyl-2-N-pentylbutane-1,2-diamine

C13H30N2 — CID 62008795

IUPAC2-N,2-diethyl-2-N-pentylbutane-1,2-diamine
SMILESCCCCCN(CC)C(CC)(CC)CN
InChIInChI=1S/C13H30N2/c1-5-9-10-11-15(8-4)13(6-2,7-3)12-14/h5-12,14H2,1-4H3
InChIKeyURAVAGUZBQNYSY-UHFFFAOYSA-N
MW214.40 g/mol
LogP3.02
Rot. Bonds9

About 2-N,2-diethyl-2-N-pentylbutane-1,2-diamine

2-N,2-diethyl-2-N-pentylbutane-1,2-diamine (PubChem CID 62008795) has the molecular formula C13H30N2 and a molecular weight of 214.40 g/mol. Its IUPAC name is 2-N,2-diethyl-2-N-pentylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-diethyl-2-N-pentylbutane-1,2-diamine
PubChem CID62008795
Molecular FormulaC13H30N2
Molecular Weight214.40 g/mol
Exact Mass214.24
IUPAC Name2-N,2-diethyl-2-N-pentylbutane-1,2-diamine
SMILESCCCCCN(CC)C(CC)(CC)CN
InChIInChI=1S/C13H30N2/c1-5-9-10-11-15(8-4)13(6-2,7-3)12-14/h5-12,14H2,1-4H3
InChIKeyURAVAGUZBQNYSY-UHFFFAOYSA-N
XLogP3.02
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 ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-2-N-hexyl-2-N-methylbutane-1,2-diamine
CID 62008988
2-N,2-N-dibutyl-2-ethylpentane-1,2-diamine
CID 114079873
3-[3-(aminomethyl)pentan-3-yl-propylamino]propan-1-ol
CID 62008603
2-N,2-diethyl-2-N-pentylpent-3-ene-1,2-diamine
CID 123352773
2-N,2-diethyl-2-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]butane-1,2-diamine
CID 104561127
2-ethyl-2-N-(3-ethylsulfonylpropyl)-2-N-propylbutane-1,2-diamine
CID 65094284
N,N,3-triethyldodecan-3-amine
CID 150961559
4-[(1-amino-2-methylbutan-2-yl)-ethylamino]butan-1-ol
CID 62008969
2-N-butyl-2-N-ethyl-2,3-dimethylbutane-1,2-diamine
CID 60710048
2-N,2-dimethyl-2-N-pentylbutane-1,2-diamine
CID 43294696
2-ethyl-2-N,2-N-bis(3-methylbutyl)butane-1,2-diamine
CID 107869452
N-ethyl-N-(4-methylheptan-4-yl)decan-1-amine
CID 154429867

Frequently Asked Questions

What is the IUPAC name of 2-N,2-diethyl-2-N-pentylbutane-1,2-diamine?
The IUPAC name of 2-N,2-diethyl-2-N-pentylbutane-1,2-diamine (CID 62008795) is 2-N,2-diethyl-2-N-pentylbutane-1,2-diamine.
What is the SMILES notation for 2-N,2-diethyl-2-N-pentylbutane-1,2-diamine?
The canonical SMILES for 2-N,2-diethyl-2-N-pentylbutane-1,2-diamine is CCCCCN(CC)C(CC)(CC)CN.
What is the InChIKey of 2-N,2-diethyl-2-N-pentylbutane-1,2-diamine?
The InChIKey is URAVAGUZBQNYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2/c1-5-9-10-11-15(8-4)13(6-2,7-3)12-14/h5-12,14H2,1-4H3.
What are the key properties of 2-N,2-diethyl-2-N-pentylbutane-1,2-diamine?
2-N,2-diethyl-2-N-pentylbutane-1,2-diamine has a molecular weight of 214.40 g/mol, XLogP of 3.02, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-diethyl-2-N-pentylbutane-1,2-diamine is sourced from PubChem (CID 62008795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).