1-(1-methoxycyclopentyl)-N-methylhex-4-yn-1-amine

C13H23NO — CID 104807491

IUPAC1-(1-methoxycyclopentyl)-N-methylhex-4-yn-1-amine
SMILESCC#CCCC(NC)C1(OC)CCCC1
InChIInChI=1S/C13H23NO/c1-4-5-6-9-12(14-2)13(15-3)10-7-8-11-13/h12,14H,6-11H2,1-3H3
InChIKeyHIWRDZFTYMVUJH-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.34
Rot. Bonds5

About 1-(1-methoxycyclopentyl)-N-methylhex-4-yn-1-amine

1-(1-methoxycyclopentyl)-N-methylhex-4-yn-1-amine (PubChem CID 104807491) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1-(1-methoxycyclopentyl)-N-methylhex-4-yn-1-amine.

Molecular Properties

Compound Name1-(1-methoxycyclopentyl)-N-methylhex-4-yn-1-amine
PubChem CID104807491
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1-(1-methoxycyclopentyl)-N-methylhex-4-yn-1-amine
SMILESCC#CCCC(NC)C1(OC)CCCC1
InChIInChI=1S/C13H23NO/c1-4-5-6-9-12(14-2)13(15-3)10-7-8-11-13/h12,14H,6-11H2,1-3H3
InChIKeyHIWRDZFTYMVUJH-UHFFFAOYSA-N
XLogP2.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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-ethylcyclopentyl)-N-methylhex-4-yn-1-amine
CID 105037420
1-(1-methoxy-4,4-dimethylcyclohexyl)hex-4-ynylhydrazine
CID 105278064
1-(1-methoxycyclohexyl)-N,4,4-trimethylpentan-1-amine
CID 116762900
1-(1-methoxycycloheptyl)-N-methylbut-3-yn-1-amine
CID 116770145
1-(1-methoxy-3-methylcyclohexyl)hex-4-ynylhydrazine
CID 105277567
1-(1-methoxycyclohexyl)pent-3-ynylhydrazine
CID 105275981
1-(1-methoxy-4,4-dimethylcyclohexyl)-N-propylhex-4-yn-1-amine
CID 116769667
1-(1-ethoxycycloheptyl)-N-ethylhex-4-yn-1-amine
CID 116770947
1-(1-methoxycyclobutyl)pent-3-ynylhydrazine
CID 105270283
1-(1-methoxy-4-methylcyclohexyl)-N-methylpent-3-yn-1-amine
CID 116766560
4-ethylsulfonyl-1-(1-methoxycyclohexyl)-N-methylbutan-1-amine
CID 116762936

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycyclopentyl)-N-methylhex-4-yn-1-amine?
The IUPAC name of 1-(1-methoxycyclopentyl)-N-methylhex-4-yn-1-amine (CID 104807491) is 1-(1-methoxycyclopentyl)-N-methylhex-4-yn-1-amine.
What is the SMILES notation for 1-(1-methoxycyclopentyl)-N-methylhex-4-yn-1-amine?
The canonical SMILES for 1-(1-methoxycyclopentyl)-N-methylhex-4-yn-1-amine is CC#CCCC(NC)C1(OC)CCCC1.
What is the InChIKey of 1-(1-methoxycyclopentyl)-N-methylhex-4-yn-1-amine?
The InChIKey is HIWRDZFTYMVUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-4-5-6-9-12(14-2)13(15-3)10-7-8-11-13/h12,14H,6-11H2,1-3H3.
What are the key properties of 1-(1-methoxycyclopentyl)-N-methylhex-4-yn-1-amine?
1-(1-methoxycyclopentyl)-N-methylhex-4-yn-1-amine has a molecular weight of 209.33 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycyclopentyl)-N-methylhex-4-yn-1-amine is sourced from PubChem (CID 104807491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).