(4S)-4-ethyl-N-pentylnonan-3-amine

C16H35N — CID 89384517

IUPAC(4S)-4-ethyl-N-pentylnonan-3-amine
SMILESCCCCCNC(CC)[C@@H](CC)CCCCC
InChIInChI=1S/C16H35N/c1-5-9-11-13-15(7-3)16(8-4)17-14-12-10-6-2/h15-17H,5-14H2,1-4H3/t15-,16?/m0/s1
InChIKeyGLQGODWISTXLBH-VYRBHSGPSA-N
MW241.46 g/mol
LogP5.15
Rot. Bonds12

About (4S)-4-ethyl-N-pentylnonan-3-amine

(4S)-4-ethyl-N-pentylnonan-3-amine (PubChem CID 89384517) has the molecular formula C16H35N and a molecular weight of 241.46 g/mol. Its IUPAC name is (4S)-4-ethyl-N-pentylnonan-3-amine.

Molecular Properties

Compound Name(4S)-4-ethyl-N-pentylnonan-3-amine
PubChem CID89384517
Molecular FormulaC16H35N
Molecular Weight241.46 g/mol
Exact Mass241.28
IUPAC Name(4S)-4-ethyl-N-pentylnonan-3-amine
SMILESCCCCCNC(CC)[C@@H](CC)CCCCC
InChIInChI=1S/C16H35N/c1-5-9-11-13-15(7-3)16(8-4)17-14-12-10-6-2/h15-17H,5-14H2,1-4H3/t15-,16?/m0/s1
InChIKeyGLQGODWISTXLBH-VYRBHSGPSA-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

5-ethyl-N-propyltetradecan-6-amine
CID 115835262
N-[(3R)-2-methylpentan-3-yl]hexan-1-amine
CID 162530079
N,5-diethylpentadecan-6-amine
CID 115831438
9,10-diethyloctadecane
CID 530164
N-tridecylpentadecan-3-amine
CID 88820168
N-(3-ethylpentan-2-yl)heptan-1-amine
CID 63843308
3-ethyl-1-methoxy-N-propylheptan-2-amine
CID 105008758
3-ethyl-N-propyldodecan-2-amine
CID 63400125
19-heptadecan-3-ylnonatriacontane
CID 57212477
6-ethyl-7-pentyltetradecane
CID 123140274
5,6-diethyldodecane
CID 90761715
1-ethoxy-3-ethyl-N-propylheptan-2-amine
CID 105007894

Frequently Asked Questions

What is the IUPAC name of (4S)-4-ethyl-N-pentylnonan-3-amine?
The IUPAC name of (4S)-4-ethyl-N-pentylnonan-3-amine (CID 89384517) is (4S)-4-ethyl-N-pentylnonan-3-amine.
What is the SMILES notation for (4S)-4-ethyl-N-pentylnonan-3-amine?
The canonical SMILES for (4S)-4-ethyl-N-pentylnonan-3-amine is CCCCCNC(CC)[C@@H](CC)CCCCC.
What is the InChIKey of (4S)-4-ethyl-N-pentylnonan-3-amine?
The InChIKey is GLQGODWISTXLBH-VYRBHSGPSA-N. The full InChI is InChI=1S/C16H35N/c1-5-9-11-13-15(7-3)16(8-4)17-14-12-10-6-2/h15-17H,5-14H2,1-4H3/t15-,16?/m0/s1.
What are the key properties of (4S)-4-ethyl-N-pentylnonan-3-amine?
(4S)-4-ethyl-N-pentylnonan-3-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 (4S)-4-ethyl-N-pentylnonan-3-amine is sourced from PubChem (CID 89384517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).