N-ethyl-1-(1-methoxycyclobutyl)-3-methylhexan-1-amine

C14H29NO — CID 116714567

IUPACN-ethyl-1-(1-methoxycyclobutyl)-3-methylhexan-1-amine
SMILESCCCC(C)CC(NCC)C1(OC)CCC1
InChIInChI=1S/C14H29NO/c1-5-8-12(3)11-13(15-6-2)14(16-4)9-7-10-14/h12-13,15H,5-11H2,1-4H3
InChIKeyGZGYYJYHYLXSGH-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.36
Rot. Bonds8

About N-ethyl-1-(1-methoxycyclobutyl)-3-methylhexan-1-amine

N-ethyl-1-(1-methoxycyclobutyl)-3-methylhexan-1-amine (PubChem CID 116714567) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is N-ethyl-1-(1-methoxycyclobutyl)-3-methylhexan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(1-methoxycyclobutyl)-3-methylhexan-1-amine
PubChem CID116714567
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC NameN-ethyl-1-(1-methoxycyclobutyl)-3-methylhexan-1-amine
SMILESCCCC(C)CC(NCC)C1(OC)CCC1
InChIInChI=1S/C14H29NO/c1-5-8-12(3)11-13(15-6-2)14(16-4)9-7-10-14/h12-13,15H,5-11H2,1-4H3
InChIKeyGZGYYJYHYLXSGH-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-methoxycyclobutyl)-3-methylhexan-1-amine?
The IUPAC name of N-ethyl-1-(1-methoxycyclobutyl)-3-methylhexan-1-amine (CID 116714567) is N-ethyl-1-(1-methoxycyclobutyl)-3-methylhexan-1-amine.
What is the SMILES notation for N-ethyl-1-(1-methoxycyclobutyl)-3-methylhexan-1-amine?
The canonical SMILES for N-ethyl-1-(1-methoxycyclobutyl)-3-methylhexan-1-amine is CCCC(C)CC(NCC)C1(OC)CCC1.
What is the InChIKey of N-ethyl-1-(1-methoxycyclobutyl)-3-methylhexan-1-amine?
The InChIKey is GZGYYJYHYLXSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-5-8-12(3)11-13(15-6-2)14(16-4)9-7-10-14/h12-13,15H,5-11H2,1-4H3.
What are the key properties of N-ethyl-1-(1-methoxycyclobutyl)-3-methylhexan-1-amine?
N-ethyl-1-(1-methoxycyclobutyl)-3-methylhexan-1-amine has a molecular weight of 227.39 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-methoxycyclobutyl)-3-methylhexan-1-amine is sourced from PubChem (CID 116714567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).