N-[2-(4-methylpentan-2-yloxymethyl)prop-2-enyl]cyclopropanamine

C13H25NO — CID 103074478

IUPACN-[2-(4-methylpentan-2-yloxymethyl)prop-2-enyl]cyclopropanamine
SMILESC=C(CNC1CC1)COC(C)CC(C)C
InChIInChI=1S/C13H25NO/c1-10(2)7-12(4)15-9-11(3)8-14-13-5-6-13/h10,12-14H,3,5-9H2,1-2,4H3
InChIKeyBDKBUCJFKGFCJE-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.75
Rot. Bonds8

About N-[2-(4-methylpentan-2-yloxymethyl)prop-2-enyl]cyclopropanamine

N-[2-(4-methylpentan-2-yloxymethyl)prop-2-enyl]cyclopropanamine (PubChem CID 103074478) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is N-[2-(4-methylpentan-2-yloxymethyl)prop-2-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(4-methylpentan-2-yloxymethyl)prop-2-enyl]cyclopropanamine
PubChem CID103074478
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC NameN-[2-(4-methylpentan-2-yloxymethyl)prop-2-enyl]cyclopropanamine
SMILESC=C(CNC1CC1)COC(C)CC(C)C
InChIInChI=1S/C13H25NO/c1-10(2)7-12(4)15-9-11(3)8-14-13-5-6-13/h10,12-14H,3,5-9H2,1-2,4H3
InChIKeyBDKBUCJFKGFCJE-UHFFFAOYSA-N
XLogP2.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.75
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-(cyclopentyloxymethyl)prop-2-enyl]cyclopropanamine
CID 103074330
2-(cyclopentyloxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074331
N-[2-(ethoxymethyl)prop-2-enyl]cyclopropanamine
CID 103074364
N-ethyl-2-(3-methylbutoxymethyl)prop-2-en-1-amine
CID 103074382
N-[2-(3-methylbutoxymethyl)prop-2-enyl]cyclopropanamine
CID 103074383
2-(3-methylbutoxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074384
N-tert-butyl-2-(3-methylbutoxymethyl)prop-2-en-1-amine
CID 103074385
2-(3-methylbutoxymethyl)-N-propylprop-2-en-1-amine
CID 103074386
N-[2-[(4-methylcyclohexyl)oxymethyl]prop-2-enyl]cyclopropanamine
CID 103074396
N-[2-[(2-methylcyclohexyl)oxymethyl]prop-2-enyl]cyclopropanamine
CID 103074409
N-[2-(2-methylpropoxymethyl)prop-2-enyl]cyclopropanamine
CID 103074423
2-(2-methylpropoxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103074424

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpentan-2-yloxymethyl)prop-2-enyl]cyclopropanamine?
The IUPAC name of N-[2-(4-methylpentan-2-yloxymethyl)prop-2-enyl]cyclopropanamine (CID 103074478) is N-[2-(4-methylpentan-2-yloxymethyl)prop-2-enyl]cyclopropanamine.
What is the SMILES notation for N-[2-(4-methylpentan-2-yloxymethyl)prop-2-enyl]cyclopropanamine?
The canonical SMILES for N-[2-(4-methylpentan-2-yloxymethyl)prop-2-enyl]cyclopropanamine is C=C(CNC1CC1)COC(C)CC(C)C.
What is the InChIKey of N-[2-(4-methylpentan-2-yloxymethyl)prop-2-enyl]cyclopropanamine?
The InChIKey is BDKBUCJFKGFCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-10(2)7-12(4)15-9-11(3)8-14-13-5-6-13/h10,12-14H,3,5-9H2,1-2,4H3.
What are the key properties of N-[2-(4-methylpentan-2-yloxymethyl)prop-2-enyl]cyclopropanamine?
N-[2-(4-methylpentan-2-yloxymethyl)prop-2-enyl]cyclopropanamine has a molecular weight of 211.35 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpentan-2-yloxymethyl)prop-2-enyl]cyclopropanamine is sourced from PubChem (CID 103074478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).