2-ethyl-1-N-pentyl-1-N-propan-2-ylbutane-1,2-diamine

C14H32N2 — CID 79812309

IUPAC2-ethyl-1-N-pentyl-1-N-propan-2-ylbutane-1,2-diamine
SMILESCCCCCN(CC(N)(CC)CC)C(C)C
InChIInChI=1S/C14H32N2/c1-6-9-10-11-16(13(4)5)12-14(15,7-2)8-3/h13H,6-12,15H2,1-5H3
InChIKeyUKGXDPZHTHHHJC-UHFFFAOYSA-N
MW228.42 g/mol
LogP3.40
Rot. Bonds9

About 2-ethyl-1-N-pentyl-1-N-propan-2-ylbutane-1,2-diamine

2-ethyl-1-N-pentyl-1-N-propan-2-ylbutane-1,2-diamine (PubChem CID 79812309) has the molecular formula C14H32N2 and a molecular weight of 228.42 g/mol. Its IUPAC name is 2-ethyl-1-N-pentyl-1-N-propan-2-ylbutane-1,2-diamine.

Molecular Properties

Compound Name2-ethyl-1-N-pentyl-1-N-propan-2-ylbutane-1,2-diamine
PubChem CID79812309
Molecular FormulaC14H32N2
Molecular Weight228.42 g/mol
Exact Mass228.26
IUPAC Name2-ethyl-1-N-pentyl-1-N-propan-2-ylbutane-1,2-diamine
SMILESCCCCCN(CC(N)(CC)CC)C(C)C
InChIInChI=1S/C14H32N2/c1-6-9-10-11-16(13(4)5)12-14(15,7-2)8-3/h13H,6-12,15H2,1-5H3
InChIKeyUKGXDPZHTHHHJC-UHFFFAOYSA-N
XLogP3.40
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 ≤ 53.40
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-methyl-1-N-pentyl-1-N-propan-2-ylbutane-1,2-diamine
CID 79811282
2,2,3-trimethyl-1-N-pentyl-1-N-propan-2-ylbutane-1,3-diamine
CID 65267034
N-dodecyl-N-propan-2-yltetradecan-1-amine
CID 87516029
3-methyl-1-N-pentyl-1-N-propan-2-ylbutane-1,3-diamine
CID 64681832
2-methyl-2-[[pentyl(propan-2-yl)amino]methyl]butanal
CID 62276624
2-ethyl-N,2-dimethyl-N'-pentyl-N'-propan-2-ylpropane-1,3-diamine
CID 62259798
2,2-dimethyl-3-[pentyl(propan-2-yl)amino]propanoic acid
CID 62271230
N-(2-methylpropyl)-N-propan-2-ylhexan-1-amine
CID 59980738
N-butyl-N-propan-2-ylbutan-1-amine;hydrochloride
CID 173040344
N-butyl-N-propan-2-ylbutan-1-amine;ethane
CID 143004745
6-ethylundecan-6-amine
CID 173250227
2-ethyl-1-N-methyl-1-N-propan-2-ylbutane-1,2-diamine
CID 79814972

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-N-pentyl-1-N-propan-2-ylbutane-1,2-diamine?
The IUPAC name of 2-ethyl-1-N-pentyl-1-N-propan-2-ylbutane-1,2-diamine (CID 79812309) is 2-ethyl-1-N-pentyl-1-N-propan-2-ylbutane-1,2-diamine.
What is the SMILES notation for 2-ethyl-1-N-pentyl-1-N-propan-2-ylbutane-1,2-diamine?
The canonical SMILES for 2-ethyl-1-N-pentyl-1-N-propan-2-ylbutane-1,2-diamine is CCCCCN(CC(N)(CC)CC)C(C)C.
What is the InChIKey of 2-ethyl-1-N-pentyl-1-N-propan-2-ylbutane-1,2-diamine?
The InChIKey is UKGXDPZHTHHHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2/c1-6-9-10-11-16(13(4)5)12-14(15,7-2)8-3/h13H,6-12,15H2,1-5H3.
What are the key properties of 2-ethyl-1-N-pentyl-1-N-propan-2-ylbutane-1,2-diamine?
2-ethyl-1-N-pentyl-1-N-propan-2-ylbutane-1,2-diamine has a molecular weight of 228.42 g/mol, XLogP of 3.40, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-N-pentyl-1-N-propan-2-ylbutane-1,2-diamine is sourced from PubChem (CID 79812309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).