4,4-dimethyl-3-pent-3-ynylcyclohexan-1-amine

C13H23N — CID 165491863

IUPAC4,4-dimethyl-3-pent-3-ynylcyclohexan-1-amine
SMILESCC#CCCC1CC(N)CCC1(C)C
InChIInChI=1S/C13H23N/c1-4-5-6-7-11-10-12(14)8-9-13(11,2)3/h11-12H,6-10,14H2,1-3H3
InChIKeyXXRGKNKGQYAYAO-UHFFFAOYSA-N
MW193.33 g/mol
LogP2.94
Rot. Bonds2

About 4,4-dimethyl-3-pent-3-ynylcyclohexan-1-amine

4,4-dimethyl-3-pent-3-ynylcyclohexan-1-amine (PubChem CID 165491863) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 4,4-dimethyl-3-pent-3-ynylcyclohexan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-3-pent-3-ynylcyclohexan-1-amine
PubChem CID165491863
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name4,4-dimethyl-3-pent-3-ynylcyclohexan-1-amine
SMILESCC#CCCC1CC(N)CCC1(C)C
InChIInChI=1S/C13H23N/c1-4-5-6-7-11-10-12(14)8-9-13(11,2)3/h11-12H,6-10,14H2,1-3H3
InChIKeyXXRGKNKGQYAYAO-UHFFFAOYSA-N
XLogP2.94
TPSA26.02 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 ≤ 52.94
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-but-3-enyl-4,4-dimethylcyclohexan-1-amine
CID 165491861
3-pent-3-ynylcycloheptan-1-amine
CID 104811921
(1R)-2,2-dimethylcyclobutan-1-amine
CID 99645727
5-amino-2,2-dimethylcyclohexan-1-ol;hydrochloride
CID 89158271
1-(2,2-dimethylcyclopentyl)hex-4-yn-1-amine
CID 107190869
(2-pent-3-ynylcyclopentyl)methanamine
CID 104813751
3-but-2-ynyl-4-methylcyclohexan-1-amine
CID 165491537
2,4-diethyl-1,1-dimethylcyclohexane
CID 143295937
1,1-dimethyl-2-(2-methylpropyl)cyclobutane
CID 123767451
2-(2,2-dimethylcyclopropyl)hept-5-yn-2-ol
CID 130855397
1-(4-aminopiperidin-1-yl)hept-5-yn-2-one
CID 116593394
2,2-dimethyl-N-pent-3-ynylcyclopropan-1-amine
CID 104806676

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-pent-3-ynylcyclohexan-1-amine?
The IUPAC name of 4,4-dimethyl-3-pent-3-ynylcyclohexan-1-amine (CID 165491863) is 4,4-dimethyl-3-pent-3-ynylcyclohexan-1-amine.
What is the SMILES notation for 4,4-dimethyl-3-pent-3-ynylcyclohexan-1-amine?
The canonical SMILES for 4,4-dimethyl-3-pent-3-ynylcyclohexan-1-amine is CC#CCCC1CC(N)CCC1(C)C.
What is the InChIKey of 4,4-dimethyl-3-pent-3-ynylcyclohexan-1-amine?
The InChIKey is XXRGKNKGQYAYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-4-5-6-7-11-10-12(14)8-9-13(11,2)3/h11-12H,6-10,14H2,1-3H3.
What are the key properties of 4,4-dimethyl-3-pent-3-ynylcyclohexan-1-amine?
4,4-dimethyl-3-pent-3-ynylcyclohexan-1-amine has a molecular weight of 193.33 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-pent-3-ynylcyclohexan-1-amine is sourced from PubChem (CID 165491863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).