N-ethyl-1-(1-methoxycycloheptyl)-3-methylbut-3-en-1-amine

C15H29NO — CID 116770293

IUPACN-ethyl-1-(1-methoxycycloheptyl)-3-methylbut-3-en-1-amine
SMILESC=C(C)CC(NCC)C1(OC)CCCCCC1
InChIInChI=1S/C15H29NO/c1-5-16-14(12-13(2)3)15(17-4)10-8-6-7-9-11-15/h14,16H,2,5-12H2,1,3-4H3
InChIKeyXPNASEVDNKCEBN-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.67
Rot. Bonds6

About N-ethyl-1-(1-methoxycycloheptyl)-3-methylbut-3-en-1-amine

N-ethyl-1-(1-methoxycycloheptyl)-3-methylbut-3-en-1-amine (PubChem CID 116770293) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N-ethyl-1-(1-methoxycycloheptyl)-3-methylbut-3-en-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(1-methoxycycloheptyl)-3-methylbut-3-en-1-amine
PubChem CID116770293
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN-ethyl-1-(1-methoxycycloheptyl)-3-methylbut-3-en-1-amine
SMILESC=C(C)CC(NCC)C1(OC)CCCCCC1
InChIInChI=1S/C15H29NO/c1-5-16-14(12-13(2)3)15(17-4)10-8-6-7-9-11-15/h14,16H,2,5-12H2,1,3-4H3
InChIKeyXPNASEVDNKCEBN-UHFFFAOYSA-N
XLogP3.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.67
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

1-(1-methoxycycloheptyl)-3-methyl-N-propylbut-3-en-1-amine
CID 116770456
1-(1-methoxycyclopentyl)-3-methyl-N-propylbut-3-en-1-amine
CID 104611348
N-ethyl-1-(1-methoxycycloheptyl)-3-methylidenepentan-1-amine
CID 116770367
[1-(1-methoxycyclopentyl)-3-methylbut-3-enyl]hydrazine
CID 105268829
N-ethyl-1-(1-methoxycyclohexyl)-3-methylbutan-1-amine
CID 116763096
1-[1-(ethylamino)-3-methylbut-3-enyl]-N,N-dimethylcyclohexan-1-amine
CID 79184871
N,3-diethyl-1-(1-methoxycycloheptyl)pentan-1-amine
CID 116770390
1-(1-methoxycyclopentyl)-3-methylbut-3-en-1-ol
CID 104610434
2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine
CID 103049169
N-ethyl-1-(1-methoxycyclobutyl)pent-4-en-1-amine
CID 116714654
1-(1-methoxycyclobutyl)-3-methylbut-3-en-1-amine
CID 116713908
2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine
CID 116763203

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-methoxycycloheptyl)-3-methylbut-3-en-1-amine?
The IUPAC name of N-ethyl-1-(1-methoxycycloheptyl)-3-methylbut-3-en-1-amine (CID 116770293) is N-ethyl-1-(1-methoxycycloheptyl)-3-methylbut-3-en-1-amine.
What is the SMILES notation for N-ethyl-1-(1-methoxycycloheptyl)-3-methylbut-3-en-1-amine?
The canonical SMILES for N-ethyl-1-(1-methoxycycloheptyl)-3-methylbut-3-en-1-amine is C=C(C)CC(NCC)C1(OC)CCCCCC1.
What is the InChIKey of N-ethyl-1-(1-methoxycycloheptyl)-3-methylbut-3-en-1-amine?
The InChIKey is XPNASEVDNKCEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-5-16-14(12-13(2)3)15(17-4)10-8-6-7-9-11-15/h14,16H,2,5-12H2,1,3-4H3.
What are the key properties of N-ethyl-1-(1-methoxycycloheptyl)-3-methylbut-3-en-1-amine?
N-ethyl-1-(1-methoxycycloheptyl)-3-methylbut-3-en-1-amine has a molecular weight of 239.40 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-methoxycycloheptyl)-3-methylbut-3-en-1-amine is sourced from PubChem (CID 116770293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).