N-(4,4-dimethylpent-2-ynyl)cyclohexanamine

C13H23N — CID 130478445

IUPACN-(4,4-dimethylpent-2-ynyl)cyclohexanamine
SMILESCC(C)(C)C#CCNC1CCCCC1
InChIInChI=1S/C13H23N/c1-13(2,3)10-7-11-14-12-8-5-4-6-9-12/h12,14H,4-6,8-9,11H2,1-3H3
InChIKeyNRKMISCBGUDMNN-UHFFFAOYSA-N
MW193.33 g/mol
LogP2.96
Rot. Bonds2

About N-(4,4-dimethylpent-2-ynyl)cyclohexanamine

N-(4,4-dimethylpent-2-ynyl)cyclohexanamine (PubChem CID 130478445) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is N-(4,4-dimethylpent-2-ynyl)cyclohexanamine.

Molecular Properties

Compound NameN-(4,4-dimethylpent-2-ynyl)cyclohexanamine
PubChem CID130478445
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC NameN-(4,4-dimethylpent-2-ynyl)cyclohexanamine
SMILESCC(C)(C)C#CCNC1CCCCC1
InChIInChI=1S/C13H23N/c1-13(2,3)10-7-11-14-12-8-5-4-6-9-12/h12,14H,4-6,8-9,11H2,1-3H3
InChIKeyNRKMISCBGUDMNN-UHFFFAOYSA-N
XLogP2.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 52.96
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

N-(4,4-dimethylpent-2-ynyl)-1,1-dioxothietan-3-amine
CID 127015011
N-(2,2-dimethylpropyl)cyclododecanamine
CID 63452276
N-prop-2-ynylcyclohexanamine;hydrobromide
CID 3051295
N-(5,5-dimethylhexyl)cyclohexanamine
CID 58974848
N-(2-iodo-2-methylpropyl)cyclohexanamine
CID 121246583
N-ethylcyclodecanamine
CID 148546213
N-ethylcyclooctanamine
CID 13112621
1-N-cyclohexyl-2-N,2-dimethylpropane-1,2-diamine
CID 62847312
1-N-cycloheptyl-2-N,2-dimethylpropane-1,2-diamine
CID 62847310
ethane;N-ethylcyclohexanamine
CID 144865505
N-(3-fluoro-3-methylbutyl)cyclohexanamine
CID 84661119
(1-cyclohexyl-1-methoxy-6,6-dimethylhept-4-yn-2-yl)hydrazine
CID 114190776

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylpent-2-ynyl)cyclohexanamine?
The IUPAC name of N-(4,4-dimethylpent-2-ynyl)cyclohexanamine (CID 130478445) is N-(4,4-dimethylpent-2-ynyl)cyclohexanamine.
What is the SMILES notation for N-(4,4-dimethylpent-2-ynyl)cyclohexanamine?
The canonical SMILES for N-(4,4-dimethylpent-2-ynyl)cyclohexanamine is CC(C)(C)C#CCNC1CCCCC1.
What is the InChIKey of N-(4,4-dimethylpent-2-ynyl)cyclohexanamine?
The InChIKey is NRKMISCBGUDMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-13(2,3)10-7-11-14-12-8-5-4-6-9-12/h12,14H,4-6,8-9,11H2,1-3H3.
What are the key properties of N-(4,4-dimethylpent-2-ynyl)cyclohexanamine?
N-(4,4-dimethylpent-2-ynyl)cyclohexanamine has a molecular weight of 193.33 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylpent-2-ynyl)cyclohexanamine is sourced from PubChem (CID 130478445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).