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

C10H19NO — CID 103074317

IUPACN-propan-2-yl-2-(prop-2-enoxymethyl)prop-2-en-1-amine
SMILESC=CCOCC(=C)CNC(C)C
InChIInChI=1S/C10H19NO/c1-5-6-12-8-10(4)7-11-9(2)3/h5,9,11H,1,4,6-8H2,2-3H3
InChIKeyFAIUEKGNSBDENV-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.74
Rot. Bonds7

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

N-propan-2-yl-2-(prop-2-enoxymethyl)prop-2-en-1-amine (PubChem CID 103074317) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is N-propan-2-yl-2-(prop-2-enoxymethyl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-2-(prop-2-enoxymethyl)prop-2-en-1-amine
PubChem CID103074317
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC NameN-propan-2-yl-2-(prop-2-enoxymethyl)prop-2-en-1-amine
SMILESC=CCOCC(=C)CNC(C)C
InChIInChI=1S/C10H19NO/c1-5-6-12-8-10(4)7-11-9(2)3/h5,9,11H,1,4,6-8H2,2-3H3
InChIKeyFAIUEKGNSBDENV-UHFFFAOYSA-N
XLogP1.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.74
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-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)prop-2-en-1-amine
CID 103074344
N-propan-2-yl-2-(2,2,3,3-tetrafluoropropoxymethyl)prop-2-en-1-amine
CID 103074497
2-(2,2-difluoroethoxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103075028
N-propan-2-yl-2-(4,4,4-trifluorobutoxymethyl)prop-2-en-1-amine
CID 103075042
N-propan-2-yl-2-(3,3,3-trifluoropropoxymethyl)prop-2-en-1-amine
CID 103075056
2-(2,2,3,3,3-pentafluoropropoxymethyl)-N-propan-2-ylprop-2-en-1-amine
CID 113772093
[2,2-Difluoro-3-(prop-2-en-1-yloxy)propyl](propan-2-yl)amine
CID 165467210
N-(2,5-dihydrofuran-3-ylmethyl)propan-2-amine
CID 20806715
N-propan-2-yl-3-prop-2-enoxypropan-1-amine
CID 62342799
3-prop-2-enoxy-N-propylpropan-1-amine
CID 62442457
N-propan-2-yl-1-prop-2-enoxypropan-1-amine
CID 87468583
3-prop-2-enoxy-N-(3-prop-2-enoxypropyl)propan-1-amine
CID 87793324

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-(prop-2-enoxymethyl)prop-2-en-1-amine?
The IUPAC name of N-propan-2-yl-2-(prop-2-enoxymethyl)prop-2-en-1-amine (CID 103074317) is N-propan-2-yl-2-(prop-2-enoxymethyl)prop-2-en-1-amine.
What is the SMILES notation for N-propan-2-yl-2-(prop-2-enoxymethyl)prop-2-en-1-amine?
The canonical SMILES for N-propan-2-yl-2-(prop-2-enoxymethyl)prop-2-en-1-amine is C=CCOCC(=C)CNC(C)C.
What is the InChIKey of N-propan-2-yl-2-(prop-2-enoxymethyl)prop-2-en-1-amine?
The InChIKey is FAIUEKGNSBDENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-5-6-12-8-10(4)7-11-9(2)3/h5,9,11H,1,4,6-8H2,2-3H3.
What are the key properties of N-propan-2-yl-2-(prop-2-enoxymethyl)prop-2-en-1-amine?
N-propan-2-yl-2-(prop-2-enoxymethyl)prop-2-en-1-amine has a molecular weight of 169.27 g/mol, XLogP of 1.74, 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-(prop-2-enoxymethyl)prop-2-en-1-amine is sourced from PubChem (CID 103074317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).