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

C14H27NO — CID 103074510

IUPACN-[2-(heptoxymethyl)prop-2-enyl]cyclopropanamine
SMILESC=C(CNC1CC1)COCCCCCCC
InChIInChI=1S/C14H27NO/c1-3-4-5-6-7-10-16-12-13(2)11-15-14-8-9-14/h14-15H,2-12H2,1H3
InChIKeyMYOKNMGQLBPNKH-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.28
Rot. Bonds11

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

N-[2-(heptoxymethyl)prop-2-enyl]cyclopropanamine (PubChem CID 103074510) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is N-[2-(heptoxymethyl)prop-2-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(heptoxymethyl)prop-2-enyl]cyclopropanamine
PubChem CID103074510
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC NameN-[2-(heptoxymethyl)prop-2-enyl]cyclopropanamine
SMILESC=C(CNC1CC1)COCCCCCCC
InChIInChI=1S/C14H27NO/c1-3-4-5-6-7-10-16-12-13(2)11-15-14-8-9-14/h14-15H,2-12H2,1H3
InChIKeyMYOKNMGQLBPNKH-UHFFFAOYSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-{2-[(2-Methyl-2-propenyl)oxy]ethyl}piperidine hydrochloride
CID 56830000
2-[2-(2-Methylprop-2-enoxy)ethyl]piperidine
CID 56830001
2-[2-(2-Methylprop-2-enoxy)ethyl]azepane
CID 84051757
(2S)-2-[2-(2-methylprop-2-enoxy)ethyl]piperidine
CID 86320866
(2R)-2-[2-(2-methylprop-2-enoxy)ethyl]piperidine
CID 86320868
N-[2-(cyclohexyloxymethyl)prop-2-enyl]cyclopropanamine
CID 103074323
2-(cyclohexyloxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074324
N-[2-(ethoxymethyl)prop-2-enyl]cyclopropanamine
CID 103074364
N-[2-(3-methylbutoxymethyl)prop-2-enyl]cyclopropanamine
CID 103074383
N-[2-[(2-methylcyclohexyl)oxymethyl]prop-2-enyl]cyclopropanamine
CID 103074409
N-[2-(2-methylpropoxymethyl)prop-2-enyl]cyclopropanamine
CID 103074423
N-ethyl-2-(octan-2-yloxymethyl)prop-2-en-1-amine
CID 103074502

Frequently Asked Questions

What is the IUPAC name of N-[2-(heptoxymethyl)prop-2-enyl]cyclopropanamine?
The IUPAC name of N-[2-(heptoxymethyl)prop-2-enyl]cyclopropanamine (CID 103074510) is N-[2-(heptoxymethyl)prop-2-enyl]cyclopropanamine.
What is the SMILES notation for N-[2-(heptoxymethyl)prop-2-enyl]cyclopropanamine?
The canonical SMILES for N-[2-(heptoxymethyl)prop-2-enyl]cyclopropanamine is C=C(CNC1CC1)COCCCCCCC.
What is the InChIKey of N-[2-(heptoxymethyl)prop-2-enyl]cyclopropanamine?
The InChIKey is MYOKNMGQLBPNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-3-4-5-6-7-10-16-12-13(2)11-15-14-8-9-14/h14-15H,2-12H2,1H3.
What are the key properties of N-[2-(heptoxymethyl)prop-2-enyl]cyclopropanamine?
N-[2-(heptoxymethyl)prop-2-enyl]cyclopropanamine has a molecular weight of 225.38 g/mol, XLogP of 3.28, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(heptoxymethyl)prop-2-enyl]cyclopropanamine is sourced from PubChem (CID 103074510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).