1-(1-methoxycycloheptyl)-N-methylbut-3-yn-1-amine

C13H23NO — CID 116770145

IUPAC1-(1-methoxycycloheptyl)-N-methylbut-3-yn-1-amine
SMILESC#CCC(NC)C1(OC)CCCCCC1
InChIInChI=1S/C13H23NO/c1-4-9-12(14-2)13(15-3)10-7-5-6-8-11-13/h1,12,14H,5-11H2,2-3H3
InChIKeyJVPITMFCKVFTQX-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.34
Rot. Bonds4

About 1-(1-methoxycycloheptyl)-N-methylbut-3-yn-1-amine

1-(1-methoxycycloheptyl)-N-methylbut-3-yn-1-amine (PubChem CID 116770145) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1-(1-methoxycycloheptyl)-N-methylbut-3-yn-1-amine.

Molecular Properties

Compound Name1-(1-methoxycycloheptyl)-N-methylbut-3-yn-1-amine
PubChem CID116770145
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1-(1-methoxycycloheptyl)-N-methylbut-3-yn-1-amine
SMILESC#CCC(NC)C1(OC)CCCCCC1
InChIInChI=1S/C13H23NO/c1-4-9-12(14-2)13(15-3)10-7-5-6-8-11-13/h1,12,14H,5-11H2,2-3H3
InChIKeyJVPITMFCKVFTQX-UHFFFAOYSA-N
XLogP2.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1-methoxycyclopentyl)-N-methylpent-3-yn-1-amine
CID 104610913
1-(1-methoxy-3-methylcyclohexyl)-N-methylbut-3-yn-1-amine
CID 116767850
1-(1-methoxycyclohexyl)-N,4,4-trimethylpentan-1-amine
CID 116762900
1-(1-methoxycyclohexyl)-N,3-dimethylpentan-1-amine
CID 116762989
1-(1-methoxycyclopentyl)-N-methylhex-4-yn-1-amine
CID 104807491
1-(1-methoxy-4,4-dimethylcyclohexyl)but-3-ynylhydrazine
CID 105278045
2-cyclopentyl-1-(1-methoxycyclopentyl)-N-methylethanamine
CID 104610813
N-methyl-1-[1-(2-methylpropyl)cyclopentyl]but-3-yn-1-amine
CID 114977002
1-(1-methoxycyclohexyl)prop-2-ynylhydrazine
CID 105276008
2-ethyl-1-(1-methoxycyclohexyl)-N-methylbutan-1-amine
CID 116762975
4-ethylsulfonyl-1-(1-methoxycyclohexyl)-N-methylbutan-1-amine
CID 116762936
1-(1-methoxycyclohexyl)pent-3-ynylhydrazine
CID 105275981

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycycloheptyl)-N-methylbut-3-yn-1-amine?
The IUPAC name of 1-(1-methoxycycloheptyl)-N-methylbut-3-yn-1-amine (CID 116770145) is 1-(1-methoxycycloheptyl)-N-methylbut-3-yn-1-amine.
What is the SMILES notation for 1-(1-methoxycycloheptyl)-N-methylbut-3-yn-1-amine?
The canonical SMILES for 1-(1-methoxycycloheptyl)-N-methylbut-3-yn-1-amine is C#CCC(NC)C1(OC)CCCCCC1.
What is the InChIKey of 1-(1-methoxycycloheptyl)-N-methylbut-3-yn-1-amine?
The InChIKey is JVPITMFCKVFTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-4-9-12(14-2)13(15-3)10-7-5-6-8-11-13/h1,12,14H,5-11H2,2-3H3.
What are the key properties of 1-(1-methoxycycloheptyl)-N-methylbut-3-yn-1-amine?
1-(1-methoxycycloheptyl)-N-methylbut-3-yn-1-amine has a molecular weight of 209.33 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycycloheptyl)-N-methylbut-3-yn-1-amine is sourced from PubChem (CID 116770145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).