N-[2-[(3-methoxy-3-methylbutoxy)methyl]prop-2-enyl]cyclopropanamine

C13H25NO2 — CID 106666324

IUPACN-[2-[(3-methoxy-3-methylbutoxy)methyl]prop-2-enyl]cyclopropanamine
SMILESC=C(CNC1CC1)COCCC(C)(C)OC
InChIInChI=1S/C13H25NO2/c1-11(9-14-12-5-6-12)10-16-8-7-13(2,3)15-4/h12,14H,1,5-10H2,2-4H3
InChIKeyDYYSNMNDJBCSDV-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.13
Rot. Bonds9

About N-[2-[(3-methoxy-3-methylbutoxy)methyl]prop-2-enyl]cyclopropanamine

N-[2-[(3-methoxy-3-methylbutoxy)methyl]prop-2-enyl]cyclopropanamine (PubChem CID 106666324) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-[2-[(3-methoxy-3-methylbutoxy)methyl]prop-2-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[(3-methoxy-3-methylbutoxy)methyl]prop-2-enyl]cyclopropanamine
PubChem CID106666324
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-[2-[(3-methoxy-3-methylbutoxy)methyl]prop-2-enyl]cyclopropanamine
SMILESC=C(CNC1CC1)COCCC(C)(C)OC
InChIInChI=1S/C13H25NO2/c1-11(9-14-12-5-6-12)10-16-8-7-13(2,3)15-4/h12,14H,1,5-10H2,2-4H3
InChIKeyDYYSNMNDJBCSDV-UHFFFAOYSA-N
XLogP2.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-[2-(2-methoxyethoxymethyl)prop-2-enyl]cyclopropanamine
CID 103074416
N-[2-(butoxymethyl)prop-2-enyl]cyclopropanamine
CID 103074641
1-(3-methoxy-3-methylbutoxy)-2,3-dimethylbut-2-ene
CID 134299988
methyl 2-(cyclopropylamino)-4-(3-methoxy-3-methylbutoxy)-2-methylbutanoate
CID 106666818
N-[2-[(3-methoxycyclohexyl)oxymethyl]prop-2-enyl]cyclopropanamine
CID 103074784
N-[2-[(4-methoxyphenoxy)methyl]prop-2-enyl]cyclopropanamine
CID 103066708
N-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethyl)prop-2-enyl]cyclopropanamine
CID 103075210
N-[2-[2-[(3-methoxy-3-methylbutoxy)methyl]phenyl]ethyl]cyclopropanamine
CID 106667907
2-(3-methoxy-3-methylbutoxy)ethanethioamide
CID 106665735
4-chloro-N-(3-methoxy-3-methylbutyl)cyclohexan-1-amine
CID 103037173
2-(cyclopropylamino)-6-(3-methoxy-3-methylbutoxy)-2-methylhexanamide
CID 106666776
tert-butyl N-[4-[2-(2-methylprop-2-enoxy)ethylamino]cyclohexyl]carbamate
CID 103949069

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-methoxy-3-methylbutoxy)methyl]prop-2-enyl]cyclopropanamine?
The IUPAC name of N-[2-[(3-methoxy-3-methylbutoxy)methyl]prop-2-enyl]cyclopropanamine (CID 106666324) is N-[2-[(3-methoxy-3-methylbutoxy)methyl]prop-2-enyl]cyclopropanamine.
What is the SMILES notation for N-[2-[(3-methoxy-3-methylbutoxy)methyl]prop-2-enyl]cyclopropanamine?
The canonical SMILES for N-[2-[(3-methoxy-3-methylbutoxy)methyl]prop-2-enyl]cyclopropanamine is C=C(CNC1CC1)COCCC(C)(C)OC.
What is the InChIKey of N-[2-[(3-methoxy-3-methylbutoxy)methyl]prop-2-enyl]cyclopropanamine?
The InChIKey is DYYSNMNDJBCSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-11(9-14-12-5-6-12)10-16-8-7-13(2,3)15-4/h12,14H,1,5-10H2,2-4H3.
What are the key properties of N-[2-[(3-methoxy-3-methylbutoxy)methyl]prop-2-enyl]cyclopropanamine?
N-[2-[(3-methoxy-3-methylbutoxy)methyl]prop-2-enyl]cyclopropanamine has a molecular weight of 227.35 g/mol, XLogP of 2.13, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-methoxy-3-methylbutoxy)methyl]prop-2-enyl]cyclopropanamine is sourced from PubChem (CID 106666324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).