1-(1-ethoxycycloheptyl)-N-ethylpent-4-en-1-amine

C16H31NO — CID 116771028

IUPAC1-(1-ethoxycycloheptyl)-N-ethylpent-4-en-1-amine
SMILESC=CCCC(NCC)C1(OCC)CCCCCC1
InChIInChI=1S/C16H31NO/c1-4-7-12-15(17-5-2)16(18-6-3)13-10-8-9-11-14-16/h4,15,17H,1,5-14H2,2-3H3
InChIKeyJRNXMFWUZCPTAF-UHFFFAOYSA-N
MW253.43 g/mol
LogP4.06
Rot. Bonds8

About 1-(1-ethoxycycloheptyl)-N-ethylpent-4-en-1-amine

1-(1-ethoxycycloheptyl)-N-ethylpent-4-en-1-amine (PubChem CID 116771028) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 1-(1-ethoxycycloheptyl)-N-ethylpent-4-en-1-amine.

Molecular Properties

Compound Name1-(1-ethoxycycloheptyl)-N-ethylpent-4-en-1-amine
PubChem CID116771028
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name1-(1-ethoxycycloheptyl)-N-ethylpent-4-en-1-amine
SMILESC=CCCC(NCC)C1(OCC)CCCCCC1
InChIInChI=1S/C16H31NO/c1-4-7-12-15(17-5-2)16(18-6-3)13-10-8-9-11-14-16/h4,15,17H,1,5-14H2,2-3H3
InChIKeyJRNXMFWUZCPTAF-UHFFFAOYSA-N
XLogP4.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-1-(1-methoxycyclobutyl)pent-4-en-1-amine
CID 116714654
1-(1-ethoxycyclohexyl)-N-propylhex-5-en-1-amine
CID 116764224
1-(1-ethoxycyclohexyl)-N-ethyl-5-methylhexan-1-amine
CID 116764152
1-(1-ethoxycyclohexyl)-N-ethylpent-4-yn-1-amine
CID 116764086
1-(1-ethoxycyclopentyl)-N-ethylnonan-1-amine
CID 116762131
1-(1-ethoxycycloheptyl)-N-ethylhex-4-yn-1-amine
CID 116770947
1-(1-ethoxycyclohexyl)-N-ethyl-3-methylbutan-1-amine
CID 116764007
2-cyclohexyl-1-(1-ethoxycyclohexyl)-N-ethylethanamine
CID 116764108
1-(1-ethoxycyclohexyl)-N-ethyl-3-methylhexan-1-amine
CID 116764072
1-(1-ethoxycyclopentyl)-N-ethyl-3-phenylpropan-1-amine
CID 116762128
N-ethyl-1-(1-methylcyclohexyl)hex-5-en-1-amine
CID 106830165
1-(1-ethoxycyclohexyl)-N-ethyl-4-(oxolan-2-yl)butan-1-amine
CID 116764093

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxycycloheptyl)-N-ethylpent-4-en-1-amine?
The IUPAC name of 1-(1-ethoxycycloheptyl)-N-ethylpent-4-en-1-amine (CID 116771028) is 1-(1-ethoxycycloheptyl)-N-ethylpent-4-en-1-amine.
What is the SMILES notation for 1-(1-ethoxycycloheptyl)-N-ethylpent-4-en-1-amine?
The canonical SMILES for 1-(1-ethoxycycloheptyl)-N-ethylpent-4-en-1-amine is C=CCCC(NCC)C1(OCC)CCCCCC1.
What is the InChIKey of 1-(1-ethoxycycloheptyl)-N-ethylpent-4-en-1-amine?
The InChIKey is JRNXMFWUZCPTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-4-7-12-15(17-5-2)16(18-6-3)13-10-8-9-11-14-16/h4,15,17H,1,5-14H2,2-3H3.
What are the key properties of 1-(1-ethoxycycloheptyl)-N-ethylpent-4-en-1-amine?
1-(1-ethoxycycloheptyl)-N-ethylpent-4-en-1-amine has a molecular weight of 253.43 g/mol, XLogP of 4.06, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxycycloheptyl)-N-ethylpent-4-en-1-amine is sourced from PubChem (CID 116771028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).