N,3-diethyl-1-(1-methoxycycloheptyl)pentan-1-amine

C17H35NO — CID 116770390

IUPACN,3-diethyl-1-(1-methoxycycloheptyl)pentan-1-amine
SMILESCCNC(CC(CC)CC)C1(OC)CCCCCC1
InChIInChI=1S/C17H35NO/c1-5-15(6-2)14-16(18-7-3)17(19-4)12-10-8-9-11-13-17/h15-16,18H,5-14H2,1-4H3
InChIKeyOMSNPOVDDWMLCN-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.53
Rot. Bonds8

About N,3-diethyl-1-(1-methoxycycloheptyl)pentan-1-amine

N,3-diethyl-1-(1-methoxycycloheptyl)pentan-1-amine (PubChem CID 116770390) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is N,3-diethyl-1-(1-methoxycycloheptyl)pentan-1-amine.

Molecular Properties

Compound NameN,3-diethyl-1-(1-methoxycycloheptyl)pentan-1-amine
PubChem CID116770390
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC NameN,3-diethyl-1-(1-methoxycycloheptyl)pentan-1-amine
SMILESCCNC(CC(CC)CC)C1(OC)CCCCCC1
InChIInChI=1S/C17H35NO/c1-5-15(6-2)14-16(18-7-3)17(19-4)12-10-8-9-11-13-17/h15-16,18H,5-14H2,1-4H3
InChIKeyOMSNPOVDDWMLCN-UHFFFAOYSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(1-methoxycyclohexyl)-3-methylbutan-1-amine
CID 116763096
N-ethyl-1-(1-methoxycyclobutyl)-3-methylhexan-1-amine
CID 116714567
N-ethyl-1-(1-methoxycycloheptyl)-3-methylbut-3-en-1-amine
CID 116770293
N-ethyl-1-(1-methoxycycloheptyl)-3-methylidenepentan-1-amine
CID 116770367
1-(1-methoxycyclohexyl)-N,3-dimethylpentan-1-amine
CID 116762989
1-(1-ethoxycyclohexyl)-N-ethyl-3-methylbutan-1-amine
CID 116764007
2-(2,6-difluorophenyl)-N-ethyl-1-(1-methoxycyclohexyl)ethanamine
CID 114932716
N-ethyl-1-(1-methoxycyclobutyl)pent-4-en-1-amine
CID 116714654
[3-ethyl-1-(1-methoxy-4-methylcyclohexyl)pentyl]hydrazine
CID 105277200
N-ethyl-1-(1-methoxycyclohexyl)-3-thiophen-2-ylpropan-1-amine
CID 116763172
N-ethyl-1-(1-methoxycyclohexyl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107051120
1-(1-ethoxycyclohexyl)-N-ethyl-3-methylhexan-1-amine
CID 116764072

Frequently Asked Questions

What is the IUPAC name of N,3-diethyl-1-(1-methoxycycloheptyl)pentan-1-amine?
The IUPAC name of N,3-diethyl-1-(1-methoxycycloheptyl)pentan-1-amine (CID 116770390) is N,3-diethyl-1-(1-methoxycycloheptyl)pentan-1-amine.
What is the SMILES notation for N,3-diethyl-1-(1-methoxycycloheptyl)pentan-1-amine?
The canonical SMILES for N,3-diethyl-1-(1-methoxycycloheptyl)pentan-1-amine is CCNC(CC(CC)CC)C1(OC)CCCCCC1.
What is the InChIKey of N,3-diethyl-1-(1-methoxycycloheptyl)pentan-1-amine?
The InChIKey is OMSNPOVDDWMLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-5-15(6-2)14-16(18-7-3)17(19-4)12-10-8-9-11-13-17/h15-16,18H,5-14H2,1-4H3.
What are the key properties of N,3-diethyl-1-(1-methoxycycloheptyl)pentan-1-amine?
N,3-diethyl-1-(1-methoxycycloheptyl)pentan-1-amine has a molecular weight of 269.47 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-diethyl-1-(1-methoxycycloheptyl)pentan-1-amine is sourced from PubChem (CID 116770390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).