N-propan-2-yl-2-(propoxymethyl)prop-2-en-1-amine

C10H21NO — CID 103074628

IUPACN-propan-2-yl-2-(propoxymethyl)prop-2-en-1-amine
SMILESC=C(CNC(C)C)COCCC
InChIInChI=1S/C10H21NO/c1-5-6-12-8-10(4)7-11-9(2)3/h9,11H,4-8H2,1-3H3
InChIKeyFMXILVSQXXWUJS-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.97
Rot. Bonds7

About N-propan-2-yl-2-(propoxymethyl)prop-2-en-1-amine

N-propan-2-yl-2-(propoxymethyl)prop-2-en-1-amine (PubChem CID 103074628) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N-propan-2-yl-2-(propoxymethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-2-(propoxymethyl)prop-2-en-1-amine
PubChem CID103074628
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN-propan-2-yl-2-(propoxymethyl)prop-2-en-1-amine
SMILESC=C(CNC(C)C)COCCC
InChIInChI=1S/C10H21NO/c1-5-6-12-8-10(4)7-11-9(2)3/h9,11H,4-8H2,1-3H3
InChIKeyFMXILVSQXXWUJS-UHFFFAOYSA-N
XLogP1.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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-ethyl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine
CID 103074342
N-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine
CID 103074344
N-tert-butyl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine
CID 103074345
N-propyl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine
CID 103074346
N-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine
CID 103074497
N-tert-butyl-2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine
CID 103074498
N-propyl-2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine
CID 103074499
N-propan-2-yl-2-(1,1,1-trifluoropropan-2-yloxymethyl)prop-2-en-1-amine
CID 103074889
N-tert-butyl-2-(2,2,3,3,3-pentafluoropropoxymethyl)prop-2-en-1-amine
CID 103074931
2-(2,2,3,3,3-pentafluoropropoxymethyl)-N-propylprop-2-en-1-amine
CID 103074933
2-(2,2-difluoroethoxymethyl)-N-ethylprop-2-en-1-amine
CID 103075025
2-(2,2-difluoroethoxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103075028

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-(propoxymethyl)prop-2-en-1-amine?
The IUPAC name of N-propan-2-yl-2-(propoxymethyl)prop-2-en-1-amine (CID 103074628) is N-propan-2-yl-2-(propoxymethyl)prop-2-en-1-amine.
What is the SMILES notation for N-propan-2-yl-2-(propoxymethyl)prop-2-en-1-amine?
The canonical SMILES for N-propan-2-yl-2-(propoxymethyl)prop-2-en-1-amine is C=C(CNC(C)C)COCCC.
What is the InChIKey of N-propan-2-yl-2-(propoxymethyl)prop-2-en-1-amine?
The InChIKey is FMXILVSQXXWUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-5-6-12-8-10(4)7-11-9(2)3/h9,11H,4-8H2,1-3H3.
What are the key properties of N-propan-2-yl-2-(propoxymethyl)prop-2-en-1-amine?
N-propan-2-yl-2-(propoxymethyl)prop-2-en-1-amine has a molecular weight of 171.28 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-(propoxymethyl)prop-2-en-1-amine is sourced from PubChem (CID 103074628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).