1-(2-but-3-ynylcycloheptyl)-N-methylmethanamine

C13H23N — CID 81026569

IUPAC1-(2-but-3-ynylcycloheptyl)-N-methylmethanamine
SMILESC#CCCC1CCCCCC1CNC
InChIInChI=1S/C13H23N/c1-3-4-8-12-9-6-5-7-10-13(12)11-14-2/h1,12-14H,4-11H2,2H3
InChIKeyYNGKKMRJHOJOET-UHFFFAOYSA-N
MW193.33 g/mol
LogP2.82
Rot. Bonds4

About 1-(2-but-3-ynylcycloheptyl)-N-methylmethanamine

1-(2-but-3-ynylcycloheptyl)-N-methylmethanamine (PubChem CID 81026569) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is 1-(2-but-3-ynylcycloheptyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2-but-3-ynylcycloheptyl)-N-methylmethanamine
PubChem CID81026569
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name1-(2-but-3-ynylcycloheptyl)-N-methylmethanamine
SMILESC#CCCC1CCCCCC1CNC
InChIInChI=1S/C13H23N/c1-3-4-8-12-9-6-5-7-10-13(12)11-14-2/h1,12-14H,4-11H2,2H3
InChIKeyYNGKKMRJHOJOET-UHFFFAOYSA-N
XLogP2.82
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 52.82
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

(2-but-3-ynylcycloheptyl)methanamine
CID 81010939
1-(2-hexylcycloheptyl)-N-methylmethanamine
CID 81025973
1-[2-(cyclohexylmethyl)cyclopentyl]-N-methylmethanamine
CID 81033803
1-[2-(methoxymethyl)cycloheptyl]-N-methylmethanamine
CID 81025446
(1S)-2-(methylaminomethyl)cyclohexan-1-amine
CID 129138174
N-methyl-1-[2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine
CID 116628166
1-(2-cyclohexylcycloheptyl)-N-methylmethanamine
CID 81025955
1-(2-but-3-enylcyclopentyl)-N-methylmethanamine
CID 81034275
1-[2-[3-(2-methoxyethoxy)propyl]cyclohexyl]-N-methylmethanamine
CID 103415921
1-(2-cyclohexylcyclopentyl)-N-methylmethanamine
CID 81033950
N-methyl-2-prop-2-ynylcycloheptan-1-amine
CID 62604959
N-methyl-1-[2-[2-(oxolan-2-yl)ethyl]cyclopentyl]methanamine
CID 81034767

Frequently Asked Questions

What is the IUPAC name of 1-(2-but-3-ynylcycloheptyl)-N-methylmethanamine?
The IUPAC name of 1-(2-but-3-ynylcycloheptyl)-N-methylmethanamine (CID 81026569) is 1-(2-but-3-ynylcycloheptyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2-but-3-ynylcycloheptyl)-N-methylmethanamine?
The canonical SMILES for 1-(2-but-3-ynylcycloheptyl)-N-methylmethanamine is C#CCCC1CCCCCC1CNC.
What is the InChIKey of 1-(2-but-3-ynylcycloheptyl)-N-methylmethanamine?
The InChIKey is YNGKKMRJHOJOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-3-4-8-12-9-6-5-7-10-13(12)11-14-2/h1,12-14H,4-11H2,2H3.
What are the key properties of 1-(2-but-3-ynylcycloheptyl)-N-methylmethanamine?
1-(2-but-3-ynylcycloheptyl)-N-methylmethanamine has a molecular weight of 193.33 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-but-3-ynylcycloheptyl)-N-methylmethanamine is sourced from PubChem (CID 81026569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).