N-[2-[(3-methoxycyclohexyl)oxymethyl]prop-2-enyl]cyclopropanamine

C14H25NO2 — CID 103074784

IUPACN-[2-[(3-methoxycyclohexyl)oxymethyl]prop-2-enyl]cyclopropanamine
SMILESC=C(CNC1CC1)COC1CCCC(OC)C1
InChIInChI=1S/C14H25NO2/c1-11(9-15-12-6-7-12)10-17-14-5-3-4-13(8-14)16-2/h12-15H,1,3-10H2,2H3
InChIKeyYITAMGNHGAAKTE-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.27
Rot. Bonds7

About N-[2-[(3-methoxycyclohexyl)oxymethyl]prop-2-enyl]cyclopropanamine

N-[2-[(3-methoxycyclohexyl)oxymethyl]prop-2-enyl]cyclopropanamine (PubChem CID 103074784) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[2-[(3-methoxycyclohexyl)oxymethyl]prop-2-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(3-methoxycyclohexyl)oxymethyl]prop-2-enyl]cyclopropanamine
PubChem CID103074784
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC NameN-[2-[(3-methoxycyclohexyl)oxymethyl]prop-2-enyl]cyclopropanamine
SMILESC=C(CNC1CC1)COC1CCCC(OC)C1
InChIInChI=1S/C14H25NO2/c1-11(9-15-12-6-7-12)10-17-14-5-3-4-13(8-14)16-2/h12-15H,1,3-10H2,2H3
InChIKeyYITAMGNHGAAKTE-UHFFFAOYSA-N
XLogP2.27
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[(3-methoxycyclohexyl)oxymethyl]prop-2-en-1-amine
CID 103074789
N-[2-(oxolan-3-yloxymethyl)prop-2-enyl]cyclopropanamine
CID 103074794
N-tert-butyl-2-(cyclobutyloxymethyl)prop-2-en-1-amine
CID 103074726
N-[2-(2-methoxyethoxymethyl)prop-2-enyl]cyclopropanamine
CID 103074416
1-(3-methoxycyclohexyl)oxy-3-methylbutan-2-one
CID 79396046
1-(chloromethoxy)-3-methoxycyclohexane
CID 79529091
N-[2-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]prop-2-enyl]cyclopropanamine
CID 103074469
N-(2-bromoprop-2-enyl)-3-methoxycyclobutan-1-amine
CID 104871443
N-[2-(butoxymethyl)prop-2-enyl]cyclopropanamine
CID 103074641
N-[2-[(4-methoxyphenoxy)methyl]prop-2-enyl]cyclopropanamine
CID 103066708
N-[2-[(3-methoxy-3-methylbutoxy)methyl]prop-2-enyl]cyclopropanamine
CID 106666324
1-(3-methoxycyclohexyl)ethenamine
CID 145478240

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-methoxycyclohexyl)oxymethyl]prop-2-enyl]cyclopropanamine?
The IUPAC name of N-[2-[(3-methoxycyclohexyl)oxymethyl]prop-2-enyl]cyclopropanamine (CID 103074784) is N-[2-[(3-methoxycyclohexyl)oxymethyl]prop-2-enyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(3-methoxycyclohexyl)oxymethyl]prop-2-enyl]cyclopropanamine?
The canonical SMILES for N-[2-[(3-methoxycyclohexyl)oxymethyl]prop-2-enyl]cyclopropanamine is C=C(CNC1CC1)COC1CCCC(OC)C1.
What is the InChIKey of N-[2-[(3-methoxycyclohexyl)oxymethyl]prop-2-enyl]cyclopropanamine?
The InChIKey is YITAMGNHGAAKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-11(9-15-12-6-7-12)10-17-14-5-3-4-13(8-14)16-2/h12-15H,1,3-10H2,2H3.
What are the key properties of N-[2-[(3-methoxycyclohexyl)oxymethyl]prop-2-enyl]cyclopropanamine?
N-[2-[(3-methoxycyclohexyl)oxymethyl]prop-2-enyl]cyclopropanamine has a molecular weight of 239.36 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-methoxycyclohexyl)oxymethyl]prop-2-enyl]cyclopropanamine is sourced from PubChem (CID 103074784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).