N-hex-1-yn-3-yl-1-methylcyclohexane-1-carboxamide

C14H23NO — CID 103528999

IUPACN-hex-1-yn-3-yl-1-methylcyclohexane-1-carboxamide
SMILESC#CC(CCC)NC(=O)C1(C)CCCCC1
InChIInChI=1S/C14H23NO/c1-4-9-12(5-2)15-13(16)14(3)10-7-6-8-11-14/h2,12H,4,6-11H2,1,3H3,(H,15,16)
InChIKeyQNNYHHUDIJELAQ-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.87
Rot. Bonds4

About N-hex-1-yn-3-yl-1-methylcyclohexane-1-carboxamide

N-hex-1-yn-3-yl-1-methylcyclohexane-1-carboxamide (PubChem CID 103528999) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-hex-1-yn-3-yl-1-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-hex-1-yn-3-yl-1-methylcyclohexane-1-carboxamide
PubChem CID103528999
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-hex-1-yn-3-yl-1-methylcyclohexane-1-carboxamide
SMILESC#CC(CCC)NC(=O)C1(C)CCCCC1
InChIInChI=1S/C14H23NO/c1-4-9-12(5-2)15-13(16)14(3)10-7-6-8-11-14/h2,12H,4,6-11H2,1,3H3,(H,15,16)
InChIKeyQNNYHHUDIJELAQ-UHFFFAOYSA-N
XLogP2.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-cyclohexyl-N-propan-2-ylpropanamide
CID 4144742
n-Isopropylcyclohexanecarboxamide
CID 232390
Cyclohexanecarboxamide, N-2-propynyl-
CID 25578919
3-cyclohexyl-N-(pentan-3-yl)propanamide
CID 1531256
(2S)-N-cyclohexyl-2-ethylhexanamide
CID 1722024
N-Ethyl-1-isopropylcyclohexanecarboxamide
CID 3016622
N-ethyl-1-(1-methylpropyl)cyclohexanecarboxamide
CID 3016624
N-(butan-2-yl)-3-cyclohexylpropanamide
CID 3519106
N-cyclohexyl-2-ethylhexanamide
CID 3638822
(5S)-5-methyl-N-prop-2-ynylheptanamide
CID 101744383
1-fluoro-N-propan-2-ylcyclohexane-1-carboxamide
CID 10773936
N-hex-1-yn-3-yl-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 103528526

Frequently Asked Questions

What is the IUPAC name of N-hex-1-yn-3-yl-1-methylcyclohexane-1-carboxamide?
The IUPAC name of N-hex-1-yn-3-yl-1-methylcyclohexane-1-carboxamide (CID 103528999) is N-hex-1-yn-3-yl-1-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-hex-1-yn-3-yl-1-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-hex-1-yn-3-yl-1-methylcyclohexane-1-carboxamide is C#CC(CCC)NC(=O)C1(C)CCCCC1.
What is the InChIKey of N-hex-1-yn-3-yl-1-methylcyclohexane-1-carboxamide?
The InChIKey is QNNYHHUDIJELAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-9-12(5-2)15-13(16)14(3)10-7-6-8-11-14/h2,12H,4,6-11H2,1,3H3,(H,15,16).
What are the key properties of N-hex-1-yn-3-yl-1-methylcyclohexane-1-carboxamide?
N-hex-1-yn-3-yl-1-methylcyclohexane-1-carboxamide has a molecular weight of 221.34 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-1-yn-3-yl-1-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 103528999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).