N-ethyl-1-(1-methoxycycloheptyl)-3-methylidenepentan-1-amine

C16H31NO — CID 116770367

IUPACN-ethyl-1-(1-methoxycycloheptyl)-3-methylidenepentan-1-amine
SMILESC=C(CC)CC(NCC)C1(OC)CCCCCC1
InChIInChI=1S/C16H31NO/c1-5-14(3)13-15(17-6-2)16(18-4)11-9-7-8-10-12-16/h15,17H,3,5-13H2,1-2,4H3
InChIKeyQFBIZNGUWTUDHN-UHFFFAOYSA-N
MW253.43 g/mol
LogP4.06
Rot. Bonds7

About N-ethyl-1-(1-methoxycycloheptyl)-3-methylidenepentan-1-amine

N-ethyl-1-(1-methoxycycloheptyl)-3-methylidenepentan-1-amine (PubChem CID 116770367) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is N-ethyl-1-(1-methoxycycloheptyl)-3-methylidenepentan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(1-methoxycycloheptyl)-3-methylidenepentan-1-amine
PubChem CID116770367
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC NameN-ethyl-1-(1-methoxycycloheptyl)-3-methylidenepentan-1-amine
SMILESC=C(CC)CC(NCC)C1(OC)CCCCCC1
InChIInChI=1S/C16H31NO/c1-5-14(3)13-15(17-6-2)16(18-4)11-9-7-8-10-12-16/h15,17H,3,5-13H2,1-2,4H3
InChIKeyQFBIZNGUWTUDHN-UHFFFAOYSA-N
XLogP4.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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-methoxycycloheptyl)-3-methylbut-3-en-1-amine
CID 116770293
1-(1-methoxycycloheptyl)-3-methyl-N-propylbut-3-en-1-amine
CID 116770456
N-ethyl-1-(1-methoxycyclohexyl)-3-methylbutan-1-amine
CID 116763096
N,3-diethyl-1-(1-methoxycycloheptyl)pentan-1-amine
CID 116770390
1-(1-methoxycyclopentyl)-3-methyl-N-propylbut-3-en-1-amine
CID 104611348
[1-(1-methoxy-3-methylcyclohexyl)-3-methylidenepentyl]hydrazine
CID 105277608
N-[(4-ethylcyclohexyl)-(1-methoxycycloheptyl)methyl]ethanamine
CID 116770366
N-ethyl-1-(1-methoxycyclobutyl)pent-4-en-1-amine
CID 116714654
[1-(1-methoxycyclopentyl)-3-methylbut-3-enyl]hydrazine
CID 105268829
2-(2-chloro-3-fluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine
CID 116763203
N-ethyl-1-(1-methoxycyclohexyl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 116763128
2-(5-chloro-2-fluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine
CID 103049169

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-methoxycycloheptyl)-3-methylidenepentan-1-amine?
The IUPAC name of N-ethyl-1-(1-methoxycycloheptyl)-3-methylidenepentan-1-amine (CID 116770367) is N-ethyl-1-(1-methoxycycloheptyl)-3-methylidenepentan-1-amine.
What is the SMILES notation for N-ethyl-1-(1-methoxycycloheptyl)-3-methylidenepentan-1-amine?
The canonical SMILES for N-ethyl-1-(1-methoxycycloheptyl)-3-methylidenepentan-1-amine is C=C(CC)CC(NCC)C1(OC)CCCCCC1.
What is the InChIKey of N-ethyl-1-(1-methoxycycloheptyl)-3-methylidenepentan-1-amine?
The InChIKey is QFBIZNGUWTUDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-5-14(3)13-15(17-6-2)16(18-4)11-9-7-8-10-12-16/h15,17H,3,5-13H2,1-2,4H3.
What are the key properties of N-ethyl-1-(1-methoxycycloheptyl)-3-methylidenepentan-1-amine?
N-ethyl-1-(1-methoxycycloheptyl)-3-methylidenepentan-1-amine has a molecular weight of 253.43 g/mol, XLogP of 4.06, 7 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-methylidenepentan-1-amine is sourced from PubChem (CID 116770367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).