N-methyl-2-(pentoxymethyl)prop-2-en-1-amine

C10H21NO — CID 103074639

IUPACN-methyl-2-(pentoxymethyl)prop-2-en-1-amine
SMILESC=C(CNC)COCCCCC
InChIInChI=1S/C10H21NO/c1-4-5-6-7-12-9-10(2)8-11-3/h11H,2,4-9H2,1,3H3
InChIKeyBVPWGQNUBJKSQX-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.97
Rot. Bonds8

About N-methyl-2-(pentoxymethyl)prop-2-en-1-amine

N-methyl-2-(pentoxymethyl)prop-2-en-1-amine (PubChem CID 103074639) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N-methyl-2-(pentoxymethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-methyl-2-(pentoxymethyl)prop-2-en-1-amine
PubChem CID103074639
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN-methyl-2-(pentoxymethyl)prop-2-en-1-amine
SMILESC=C(CNC)COCCCCC
InChIInChI=1S/C10H21NO/c1-4-5-6-7-12-9-10(2)8-11-3/h11H,2,4-9H2,1,3H3
InChIKeyBVPWGQNUBJKSQX-UHFFFAOYSA-N
XLogP1.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.97
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

N-methyl-2-(4,4,4-trifluorobutoxymethyl)prop-2-en-1-amine
CID 103075047
N-methyl-2-[3-(methylamino)propoxymethyl]prop-2-en-1-amine
CID 89501895
3-(2-methylprop-2-enoxy)-N-prop-2-enylpropan-1-amine
CID 142038525
N-methyl-3-(2-methylprop-2-enoxy)propan-1-amine
CID 163401473
N-ethyl-2-(prop-2-enoxymethyl)prop-2-en-1-amine
CID 103074315
2-(prop-2-enoxymethyl)-N-propylprop-2-en-1-amine
CID 103074319
N-methyl-2-(prop-2-enoxymethyl)prop-2-en-1-amine
CID 103074321
2-(cyclohexyloxymethyl)-N-methylprop-2-en-1-amine
CID 103074328
2-(cyclopentyloxymethyl)-N-ethylprop-2-en-1-amine
CID 103074329
2-(cyclopentyloxymethyl)-N-propylprop-2-en-1-amine
CID 103074333
2-(cyclopentyloxymethyl)-N-methylprop-2-en-1-amine
CID 103074335
2-(methoxymethyl)-N-propylprop-2-en-1-amine
CID 103074360

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(pentoxymethyl)prop-2-en-1-amine?
The IUPAC name of N-methyl-2-(pentoxymethyl)prop-2-en-1-amine (CID 103074639) is N-methyl-2-(pentoxymethyl)prop-2-en-1-amine.
What is the SMILES notation for N-methyl-2-(pentoxymethyl)prop-2-en-1-amine?
The canonical SMILES for N-methyl-2-(pentoxymethyl)prop-2-en-1-amine is C=C(CNC)COCCCCC.
What is the InChIKey of N-methyl-2-(pentoxymethyl)prop-2-en-1-amine?
The InChIKey is BVPWGQNUBJKSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-4-5-6-7-12-9-10(2)8-11-3/h11H,2,4-9H2,1,3H3.
What are the key properties of N-methyl-2-(pentoxymethyl)prop-2-en-1-amine?
N-methyl-2-(pentoxymethyl)prop-2-en-1-amine has a molecular weight of 171.28 g/mol, XLogP of 1.97, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(pentoxymethyl)prop-2-en-1-amine is sourced from PubChem (CID 103074639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).