ethane;N-methyl-1-[(Z)-prop-1-enyl]iminopropan-2-amine

C11H26N2 — CID 142239194

IUPACethane;N-methyl-1-[(Z)-prop-1-enyl]iminopropan-2-amine
SMILESC/C=C\N=C\C(C)NC.CC.CC
InChIInChI=1S/C7H14N2.2C2H6/c1-4-5-9-6-7(2)8-3;2*1-2/h4-8H,1-3H3;2*1-2H3/b5-4-,9-6+;;
InChIKeyHKPNTDACLMZOMS-QJYMLJTBSA-N
MW186.34 g/mol
LogP3.25
Rot. Bonds3

About ethane;N-methyl-1-[(Z)-prop-1-enyl]iminopropan-2-amine

ethane;N-methyl-1-[(Z)-prop-1-enyl]iminopropan-2-amine (PubChem CID 142239194) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is ethane;N-methyl-1-[(Z)-prop-1-enyl]iminopropan-2-amine.

Molecular Properties

Compound Nameethane;N-methyl-1-[(Z)-prop-1-enyl]iminopropan-2-amine
PubChem CID142239194
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC Nameethane;N-methyl-1-[(Z)-prop-1-enyl]iminopropan-2-amine
SMILESC/C=C\N=C\C(C)NC.CC.CC
InChIInChI=1S/C7H14N2.2C2H6/c1-4-5-9-6-7(2)8-3;2*1-2/h4-8H,1-3H3;2*1-2H3/b5-4-,9-6+;;
InChIKeyHKPNTDACLMZOMS-QJYMLJTBSA-N
XLogP3.25
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2,5-Dimethyldihydropyrazine
CID 19926417
2-Methyldihydropyrazine
CID 21470001
(2R,3R,11R,12R,15Z)-2,3,11,12-tetramethyl-1,4,7,10,13-pentazacyclohexadeca-13,15-diene
CID 59529658
(2S,12S,15Z)-2,12-dimethyl-1,4,7,10,13-pentazacyclohexadeca-13,15-diene
CID 59529660
2-methyl-2,5-dihydro-1H-1,4-diazepine
CID 68099663
(Z)-3-(ethylideneamino)-N-methylprop-2-en-1-amine
CID 88586125
N-[(Z)-2-(prop-2-enylideneamino)ethenyl]propan-2-amine
CID 88918621
(Z)-N-(2-methyliminoethyl)prop-1-en-1-amine
CID 89036298
(2R)-N-[(E)-1H-pyrimidin-2-ylidenemethyl]butan-2-amine
CID 89242240
N-[(E)-2-(prop-2-enylideneamino)ethenyl]propan-1-amine
CID 90145929
(Z)-N-ethyl-3-methyliminoprop-1-en-1-amine
CID 118400820
N-ethyl-1-(3-iminoprop-1-enylimino)propan-2-amine
CID 123629198

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-1-[(Z)-prop-1-enyl]iminopropan-2-amine?
The IUPAC name of ethane;N-methyl-1-[(Z)-prop-1-enyl]iminopropan-2-amine (CID 142239194) is ethane;N-methyl-1-[(Z)-prop-1-enyl]iminopropan-2-amine.
What is the SMILES notation for ethane;N-methyl-1-[(Z)-prop-1-enyl]iminopropan-2-amine?
The canonical SMILES for ethane;N-methyl-1-[(Z)-prop-1-enyl]iminopropan-2-amine is C/C=C\N=C\C(C)NC.CC.CC.
What is the InChIKey of ethane;N-methyl-1-[(Z)-prop-1-enyl]iminopropan-2-amine?
The InChIKey is HKPNTDACLMZOMS-QJYMLJTBSA-N. The full InChI is InChI=1S/C7H14N2.2C2H6/c1-4-5-9-6-7(2)8-3;2*1-2/h4-8H,1-3H3;2*1-2H3/b5-4-,9-6+;;.
What are the key properties of ethane;N-methyl-1-[(Z)-prop-1-enyl]iminopropan-2-amine?
ethane;N-methyl-1-[(Z)-prop-1-enyl]iminopropan-2-amine has a molecular weight of 186.34 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-1-[(Z)-prop-1-enyl]iminopropan-2-amine is sourced from PubChem (CID 142239194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).