N,N-dimethylprop-1-en-2-amine;propan-2-one;prop-1-ene

C11H23NO — CID 162280666

IUPACN,N-dimethylprop-1-en-2-amine;propan-2-one;prop-1-ene
SMILESC=C(C)N(C)C.C=CC.CC(C)=O
InChIInChI=1S/C5H11N.C3H6O.C3H6/c1-5(2)6(3)4;1-3(2)4;1-3-2/h1H2,2-4H3;1-2H3;3H,1H2,2H3
InChIKeyHUBVTTCBWGMPNR-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.87
Rot. Bonds1

About N,N-dimethylprop-1-en-2-amine;propan-2-one;prop-1-ene

N,N-dimethylprop-1-en-2-amine;propan-2-one;prop-1-ene (PubChem CID 162280666) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N,N-dimethylprop-1-en-2-amine;propan-2-one;prop-1-ene.

Molecular Properties

Compound NameN,N-dimethylprop-1-en-2-amine;propan-2-one;prop-1-ene
PubChem CID162280666
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN,N-dimethylprop-1-en-2-amine;propan-2-one;prop-1-ene
SMILESC=C(C)N(C)C.C=CC.CC(C)=O
InChIInChI=1S/C5H11N.C3H6O.C3H6/c1-5(2)6(3)4;1-3(2)4;1-3-2/h1H2,2-4H3;1-2H3;3H,1H2,2H3
InChIKeyHUBVTTCBWGMPNR-UHFFFAOYSA-N
XLogP2.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethylprop-1-en-2-amine;methane;2-methylprop-1-ene;propan-2-one
CID 158433612
azane;bis(propan-2-one);bis(prop-1-ene);dihydrate
CID 157292140
benzene;propan-2-one;prop-1-ene
CID 90994194
propane;propan-2-one;prop-1-ene
CID 160807834
N,N-dimethylprop-1-en-2-amine;methane;2-methylprop-1-ene
CID 159548709
2-methylprop-2-enoic acid;tris(prop-1-ene)
CID 160578185
methyl 2-methylprop-2-enoate;prop-1-ene;N,N,2-trimethylprop-2-enamide
CID 158640879
acetic acid;carbonic acid;prop-1-ene
CID 87718804
ethanethioic S-acid;prop-1-ene
CID 174856563
methane;N-methylmethanimine;propan-2-one;prop-1-ene
CID 159454527
diazanium;prop-1-ene;diacetate
CID 159968490
but-3-en-2-one;3-methylbut-3-en-2-one;prop-1-ene
CID 160787956

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylprop-1-en-2-amine;propan-2-one;prop-1-ene?
The IUPAC name of N,N-dimethylprop-1-en-2-amine;propan-2-one;prop-1-ene (CID 162280666) is N,N-dimethylprop-1-en-2-amine;propan-2-one;prop-1-ene.
What is the SMILES notation for N,N-dimethylprop-1-en-2-amine;propan-2-one;prop-1-ene?
The canonical SMILES for N,N-dimethylprop-1-en-2-amine;propan-2-one;prop-1-ene is C=C(C)N(C)C.C=CC.CC(C)=O.
What is the InChIKey of N,N-dimethylprop-1-en-2-amine;propan-2-one;prop-1-ene?
The InChIKey is HUBVTTCBWGMPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.C3H6O.C3H6/c1-5(2)6(3)4;1-3(2)4;1-3-2/h1H2,2-4H3;1-2H3;3H,1H2,2H3.
What are the key properties of N,N-dimethylprop-1-en-2-amine;propan-2-one;prop-1-ene?
N,N-dimethylprop-1-en-2-amine;propan-2-one;prop-1-ene has a molecular weight of 185.31 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylprop-1-en-2-amine;propan-2-one;prop-1-ene is sourced from PubChem (CID 162280666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).