2-amino-3-cyclohexyl-N-hex-5-ynylpropanamide

C15H26N2O — CID 114264857

IUPAC2-amino-3-cyclohexyl-N-hex-5-ynylpropanamide
SMILESC#CCCCCNC(=O)C(N)CC1CCCCC1
InChIInChI=1S/C15H26N2O/c1-2-3-4-8-11-17-15(18)14(16)12-13-9-6-5-7-10-13/h1,13-14H,3-12,16H2,(H,17,18)
InChIKeyFTXIKNISTKZJSN-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.20
Rot. Bonds7

About 2-amino-3-cyclohexyl-N-hex-5-ynylpropanamide

2-amino-3-cyclohexyl-N-hex-5-ynylpropanamide (PubChem CID 114264857) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-amino-3-cyclohexyl-N-hex-5-ynylpropanamide.

Molecular Properties

Compound Name2-amino-3-cyclohexyl-N-hex-5-ynylpropanamide
PubChem CID114264857
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name2-amino-3-cyclohexyl-N-hex-5-ynylpropanamide
SMILESC#CCCCCNC(=O)C(N)CC1CCCCC1
InChIInChI=1S/C15H26N2O/c1-2-3-4-8-11-17-15(18)14(16)12-13-9-6-5-7-10-13/h1,13-14H,3-12,16H2,(H,17,18)
InChIKeyFTXIKNISTKZJSN-UHFFFAOYSA-N
XLogP2.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

2-amino-N-hex-5-ynylbutanamide
CID 103950447
(2R)-2-amino-N-hex-5-ynylpentanamide
CID 106213082
2-amino-3-cyclohexyl-N-[3-(methylamino)-3-oxopropyl]propanamide
CID 114264767
2-cyclohexyl-N-pent-4-ynylacetamide
CID 103709024
2-cyclopropyl-N-pent-4-ynylpropanamide
CID 103721944
(2R)-2-amino-N-hex-5-ynyl-3,3-dimethylbutanamide
CID 106213078
2-amino-3-cyclohexyl-N-[(3-hydroxycyclobutyl)methyl]propanamide
CID 114264790
1-cycloheptylhept-6-yn-2-amine
CID 105034110
(2S)-2-amino-N-(3-cyclopentylpropyl)butanamide
CID 103795274
1-cyclopentyl-3-hex-5-ynylurea
CID 103757515
N-hex-5-ynylcyclopropanecarboxamide
CID 103758008
(2R)-2-amino-3-cyclopropyl-N-ethylpropanamide
CID 82668057

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-cyclohexyl-N-hex-5-ynylpropanamide?
The IUPAC name of 2-amino-3-cyclohexyl-N-hex-5-ynylpropanamide (CID 114264857) is 2-amino-3-cyclohexyl-N-hex-5-ynylpropanamide.
What is the SMILES notation for 2-amino-3-cyclohexyl-N-hex-5-ynylpropanamide?
The canonical SMILES for 2-amino-3-cyclohexyl-N-hex-5-ynylpropanamide is C#CCCCCNC(=O)C(N)CC1CCCCC1.
What is the InChIKey of 2-amino-3-cyclohexyl-N-hex-5-ynylpropanamide?
The InChIKey is FTXIKNISTKZJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-2-3-4-8-11-17-15(18)14(16)12-13-9-6-5-7-10-13/h1,13-14H,3-12,16H2,(H,17,18).
What are the key properties of 2-amino-3-cyclohexyl-N-hex-5-ynylpropanamide?
2-amino-3-cyclohexyl-N-hex-5-ynylpropanamide has a molecular weight of 250.39 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-cyclohexyl-N-hex-5-ynylpropanamide is sourced from PubChem (CID 114264857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).