2,2-diethyl-N-propylnonan-1-amine

C16H35N — CID 63507422

IUPAC2,2-diethyl-N-propylnonan-1-amine
SMILESCCCCCCCC(CC)(CC)CNCCC
InChIInChI=1S/C16H35N/c1-5-9-10-11-12-13-16(7-3,8-4)15-17-14-6-2/h17H,5-15H2,1-4H3
InChIKeyMENZNMLXFQKYPB-UHFFFAOYSA-N
MW241.46 g/mol
LogP5.15
Rot. Bonds12

About 2,2-diethyl-N-propylnonan-1-amine

2,2-diethyl-N-propylnonan-1-amine (PubChem CID 63507422) has the molecular formula C16H35N and a molecular weight of 241.46 g/mol. Its IUPAC name is 2,2-diethyl-N-propylnonan-1-amine.

Molecular Properties

Compound Name2,2-diethyl-N-propylnonan-1-amine
PubChem CID63507422
Molecular FormulaC16H35N
Molecular Weight241.46 g/mol
Exact Mass241.28
IUPAC Name2,2-diethyl-N-propylnonan-1-amine
SMILESCCCCCCCC(CC)(CC)CNCCC
InChIInChI=1S/C16H35N/c1-5-9-10-11-12-13-16(7-3,8-4)15-17-14-6-2/h17H,5-15H2,1-4H3
InChIKeyMENZNMLXFQKYPB-UHFFFAOYSA-N
XLogP5.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500241.46
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-butyl-2-ethyl-N-propyldecan-1-amine
CID 63508776
2,2-diethyl-N-propylbutan-1-amine
CID 62724441
2-butyl-2-ethyl-N-(2-methoxyethyl)octan-1-amine
CID 63508620
2,2-dimethyl-N-propyltetradecan-1-amine
CID 63521984
2,2-dimethyl-N-propyloctan-1-amine
CID 63522518
7-butyl-7-ethyltetradecane
CID 174665936
2-ethyl-2-[(nonylamino)methyl]butan-1-ol
CID 114164917
2,2-diethyl-N-propan-2-ylnonan-1-amine
CID 63508452
2-(chloromethyl)-2-ethyl-N-heptylbutan-1-amine
CID 106252175
2,2-diethyl-N-propan-2-yldodecan-1-amine
CID 63509498
2,2-diethyl-N'-octylpropane-1,3-diamine
CID 115568699
2,2-diethyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62724244

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-N-propylnonan-1-amine?
The IUPAC name of 2,2-diethyl-N-propylnonan-1-amine (CID 63507422) is 2,2-diethyl-N-propylnonan-1-amine.
What is the SMILES notation for 2,2-diethyl-N-propylnonan-1-amine?
The canonical SMILES for 2,2-diethyl-N-propylnonan-1-amine is CCCCCCCC(CC)(CC)CNCCC.
What is the InChIKey of 2,2-diethyl-N-propylnonan-1-amine?
The InChIKey is MENZNMLXFQKYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N/c1-5-9-10-11-12-13-16(7-3,8-4)15-17-14-6-2/h17H,5-15H2,1-4H3.
What are the key properties of 2,2-diethyl-N-propylnonan-1-amine?
2,2-diethyl-N-propylnonan-1-amine has a molecular weight of 241.46 g/mol, XLogP of 5.15, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-N-propylnonan-1-amine is sourced from PubChem (CID 63507422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).