(2S)-2-methyl-N-propyldec-9-yn-1-amine

C14H27N — CID 138547363

IUPAC(2S)-2-methyl-N-propyldec-9-yn-1-amine
SMILESC#CCCCCCC[C@H](C)CNCCC
InChIInChI=1S/C14H27N/c1-4-6-7-8-9-10-11-14(3)13-15-12-5-2/h1,14-15H,5-13H2,2-3H3/t14-/m0/s1
InChIKeyCWEFSIJMVLHXQS-AWEZNQCLSA-N
MW209.38 g/mol
LogP3.60
Rot. Bonds10

About (2S)-2-methyl-N-propyldec-9-yn-1-amine

(2S)-2-methyl-N-propyldec-9-yn-1-amine (PubChem CID 138547363) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is (2S)-2-methyl-N-propyldec-9-yn-1-amine.

Molecular Properties

Compound Name(2S)-2-methyl-N-propyldec-9-yn-1-amine
PubChem CID138547363
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC Name(2S)-2-methyl-N-propyldec-9-yn-1-amine
SMILESC#CCCCCCC[C@H](C)CNCCC
InChIInChI=1S/C14H27N/c1-4-6-7-8-9-10-11-14(3)13-15-12-5-2/h1,14-15H,5-13H2,2-3H3/t14-/m0/s1
InChIKeyCWEFSIJMVLHXQS-AWEZNQCLSA-N
XLogP3.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-methyldodec-1-yne
CID 123369200
12-methyltridec-1-yne
CID 10921423
5-ethylsulfonyl-2-methyl-N-propylpentan-1-amine
CID 65097226
CID 172706336
CID 172706336
N-(2-methoxyethyl)-2-methylnonan-1-amine
CID 62725842
7-methyl-N-propyltridecan-1-amine
CID 123278261
dec-9-yn-4-amine
CID 64505072
N-methylnon-8-yn-2-amine
CID 91435283
oct-1-yne
CID 19597608
dodec-11-yn-2-ol
CID 14044485
non-8-yn-2-ol
CID 11275050
11-chlorohexadec-1-yne
CID 171573932

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-N-propyldec-9-yn-1-amine?
The IUPAC name of (2S)-2-methyl-N-propyldec-9-yn-1-amine (CID 138547363) is (2S)-2-methyl-N-propyldec-9-yn-1-amine.
What is the SMILES notation for (2S)-2-methyl-N-propyldec-9-yn-1-amine?
The canonical SMILES for (2S)-2-methyl-N-propyldec-9-yn-1-amine is C#CCCCCCC[C@H](C)CNCCC.
What is the InChIKey of (2S)-2-methyl-N-propyldec-9-yn-1-amine?
The InChIKey is CWEFSIJMVLHXQS-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H27N/c1-4-6-7-8-9-10-11-14(3)13-15-12-5-2/h1,14-15H,5-13H2,2-3H3/t14-/m0/s1.
What are the key properties of (2S)-2-methyl-N-propyldec-9-yn-1-amine?
(2S)-2-methyl-N-propyldec-9-yn-1-amine has a molecular weight of 209.38 g/mol, XLogP of 3.60, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-N-propyldec-9-yn-1-amine is sourced from PubChem (CID 138547363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).