2-cycloheptyl-N-methyl-1-(oxan-4-yl)ethanamine

C15H29NO — CID 115855813

IUPAC2-cycloheptyl-N-methyl-1-(oxan-4-yl)ethanamine
SMILESCNC(CC1CCCCCC1)C1CCOCC1
InChIInChI=1S/C15H29NO/c1-16-15(14-8-10-17-11-9-14)12-13-6-4-2-3-5-7-13/h13-16H,2-12H2,1H3
InChIKeyCENULBRAFDQDDN-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.36
Rot. Bonds4

About 2-cycloheptyl-N-methyl-1-(oxan-4-yl)ethanamine

2-cycloheptyl-N-methyl-1-(oxan-4-yl)ethanamine (PubChem CID 115855813) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 2-cycloheptyl-N-methyl-1-(oxan-4-yl)ethanamine.

Molecular Properties

Compound Name2-cycloheptyl-N-methyl-1-(oxan-4-yl)ethanamine
PubChem CID115855813
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name2-cycloheptyl-N-methyl-1-(oxan-4-yl)ethanamine
SMILESCNC(CC1CCCCCC1)C1CCOCC1
InChIInChI=1S/C15H29NO/c1-16-15(14-8-10-17-11-9-14)12-13-6-4-2-3-5-7-13/h13-16H,2-12H2,1H3
InChIKeyCENULBRAFDQDDN-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclobutyl-N-methyl-2-(oxan-4-yl)ethanamine
CID 64986800
2-cyclohexyl-1-cyclopropyl-N-methylethanamine
CID 62600401
1,2-dicyclopentyl-N-methylethanamine
CID 62601762
[1-cycloheptyl-2-(oxan-4-yl)ethyl]hydrazine
CID 105231923
2-(3-ethoxycyclobutyl)-N-methyl-1-(oxan-4-yl)ethanamine
CID 103168628
1-cyclohexyl-N-methyl-3-(oxolan-3-yl)propan-2-amine
CID 103987113
N,N'-dimethyl-1-(oxan-4-yl)ethane-1,2-diamine
CID 116948007
2-cyclohexyl-1-(oxan-4-yl)ethanamine
CID 65329431
1-cycloheptyl-N-methyl-1-(oxan-4-yl)methanamine
CID 65399325
2-methoxy-N-methyl-1-(oxan-4-yl)ethanamine
CID 63936278
3-ethyl-N-methyl-1-(oxan-4-yl)pentan-1-amine
CID 82923429
2-(cyclopentylmethylsulfanyl)-N-methyl-1-(oxolan-3-yl)ethanamine
CID 104755768

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-N-methyl-1-(oxan-4-yl)ethanamine?
The IUPAC name of 2-cycloheptyl-N-methyl-1-(oxan-4-yl)ethanamine (CID 115855813) is 2-cycloheptyl-N-methyl-1-(oxan-4-yl)ethanamine.
What is the SMILES notation for 2-cycloheptyl-N-methyl-1-(oxan-4-yl)ethanamine?
The canonical SMILES for 2-cycloheptyl-N-methyl-1-(oxan-4-yl)ethanamine is CNC(CC1CCCCCC1)C1CCOCC1.
What is the InChIKey of 2-cycloheptyl-N-methyl-1-(oxan-4-yl)ethanamine?
The InChIKey is CENULBRAFDQDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-16-15(14-8-10-17-11-9-14)12-13-6-4-2-3-5-7-13/h13-16H,2-12H2,1H3.
What are the key properties of 2-cycloheptyl-N-methyl-1-(oxan-4-yl)ethanamine?
2-cycloheptyl-N-methyl-1-(oxan-4-yl)ethanamine has a molecular weight of 239.40 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-N-methyl-1-(oxan-4-yl)ethanamine is sourced from PubChem (CID 115855813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).