N-[2-(cycloheptyloxymethyl)prop-2-enyl]cyclopropanamine

C14H25NO — CID 103074678

IUPACN-[2-(cycloheptyloxymethyl)prop-2-enyl]cyclopropanamine
SMILESC=C(CNC1CC1)COC1CCCCCC1
InChIInChI=1S/C14H25NO/c1-12(10-15-13-8-9-13)11-16-14-6-4-2-3-5-7-14/h13-15H,1-11H2
InChIKeyHDSICUMGXXTZCG-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.03
Rot. Bonds6

About N-[2-(cycloheptyloxymethyl)prop-2-enyl]cyclopropanamine

N-[2-(cycloheptyloxymethyl)prop-2-enyl]cyclopropanamine (PubChem CID 103074678) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is N-[2-(cycloheptyloxymethyl)prop-2-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(cycloheptyloxymethyl)prop-2-enyl]cyclopropanamine
PubChem CID103074678
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC NameN-[2-(cycloheptyloxymethyl)prop-2-enyl]cyclopropanamine
SMILESC=C(CNC1CC1)COC1CCCCCC1
InChIInChI=1S/C14H25NO/c1-12(10-15-13-8-9-13)11-16-14-6-4-2-3-5-7-14/h13-15H,1-11H2
InChIKeyHDSICUMGXXTZCG-UHFFFAOYSA-N
XLogP3.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.03
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-[2-(cyclohexyloxymethyl)prop-2-enyl]cyclopropanamine
CID 103074323
2-(cyclohexyloxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074324
N-[2-(cyclopentyloxymethyl)prop-2-enyl]cyclopropanamine
CID 103074330
N-[2-(oxan-2-ylmethoxymethyl)prop-2-enyl]cyclopropanamine
CID 103074448
N-ethyl-2-(octan-2-yloxymethyl)prop-2-en-1-amine
CID 103074502
2-(octan-2-yloxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074503
2-(octan-2-yloxymethyl)-N-propylprop-2-en-1-amine
CID 103074505
N-[2-(heptoxymethyl)prop-2-enyl]cyclopropanamine
CID 103074510
2-(heptoxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074511
N-[2-(hexoxymethyl)prop-2-enyl]cyclopropanamine
CID 103074553
N-[2-(octoxymethyl)prop-2-enyl]cyclopropanamine
CID 103074560
2-(cycloheptyloxymethyl)-N-ethylprop-2-en-1-amine
CID 103074677

Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptyloxymethyl)prop-2-enyl]cyclopropanamine?
The IUPAC name of N-[2-(cycloheptyloxymethyl)prop-2-enyl]cyclopropanamine (CID 103074678) is N-[2-(cycloheptyloxymethyl)prop-2-enyl]cyclopropanamine.
What is the SMILES notation for N-[2-(cycloheptyloxymethyl)prop-2-enyl]cyclopropanamine?
The canonical SMILES for N-[2-(cycloheptyloxymethyl)prop-2-enyl]cyclopropanamine is C=C(CNC1CC1)COC1CCCCCC1.
What is the InChIKey of N-[2-(cycloheptyloxymethyl)prop-2-enyl]cyclopropanamine?
The InChIKey is HDSICUMGXXTZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-12(10-15-13-8-9-13)11-16-14-6-4-2-3-5-7-14/h13-15H,1-11H2.
What are the key properties of N-[2-(cycloheptyloxymethyl)prop-2-enyl]cyclopropanamine?
N-[2-(cycloheptyloxymethyl)prop-2-enyl]cyclopropanamine has a molecular weight of 223.36 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cycloheptyloxymethyl)prop-2-enyl]cyclopropanamine is sourced from PubChem (CID 103074678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).