N-butyl-N-methyl-3-[(Z)-prop-1-enyl]iminobutan-1-amine

C12H24N2 — CID 142257797

IUPACN-butyl-N-methyl-3-[(Z)-prop-1-enyl]iminobutan-1-amine
SMILESC/C=C\N=C(/C)CCN(C)CCCC
InChIInChI=1S/C12H24N2/c1-5-7-10-14(4)11-8-12(3)13-9-6-2/h6,9H,5,7-8,10-11H2,1-4H3/b9-6-,13-12+
InChIKeyPHAUMEPVQMZDHL-NEBWXRHNSA-N
MW196.34 g/mol
LogP3.10
Rot. Bonds7

About N-butyl-N-methyl-3-[(Z)-prop-1-enyl]iminobutan-1-amine

N-butyl-N-methyl-3-[(Z)-prop-1-enyl]iminobutan-1-amine (PubChem CID 142257797) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N-butyl-N-methyl-3-[(Z)-prop-1-enyl]iminobutan-1-amine.

Molecular Properties

Compound NameN-butyl-N-methyl-3-[(Z)-prop-1-enyl]iminobutan-1-amine
PubChem CID142257797
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN-butyl-N-methyl-3-[(Z)-prop-1-enyl]iminobutan-1-amine
SMILESC/C=C\N=C(/C)CCN(C)CCCC
InChIInChI=1S/C12H24N2/c1-5-7-10-14(4)11-8-12(3)13-9-6-2/h6,9H,5,7-8,10-11H2,1-4H3/b9-6-,13-12+
InChIKeyPHAUMEPVQMZDHL-NEBWXRHNSA-N
XLogP3.10
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-N-propan-2-yl-2,4-dihydropyridin-3-imine
CID 57239418
1-ethyl-N-propan-2-yl-2,4-dihydropyridin-3-imine
CID 57244631
2,3,5-trimethyl-1-prop-1-enyl-2H-pyrazine
CID 86055709
N-[(Z)-prop-1-enyl]-1-pyrrolidin-1-ylpropan-2-imine
CID 89298343
3-ethyl-1,1,6-trimethyl-2H-pyrazin-1-ium
CID 91163840
N,N-dimethyl-2-[(Z)-prop-1-enyl]iminopropan-1-amine
CID 118370069
4-Ethyl-1,7-dimethyl-5,6-dihydro-1,4-diazepin-1-ium
CID 123307482
1-[Butan-2-ylidene(methyl)azaniumyl]prop-1-en-2-yl-trimethylazanium
CID 123900068
4-piperidin-1-yl-N-[(Z)-prop-1-enyl]butan-2-imine
CID 134388024
3-ethyl-1-propyl-2H-pyrazine
CID 141110669
ethane;N-methyl-N-[3-[(Z)-prop-1-enyl]iminobutyl]pentan-1-amine
CID 142257782
ethane;1,3,6-trimethyl-2H-pyrazine
CID 143336614

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-methyl-3-[(Z)-prop-1-enyl]iminobutan-1-amine?
The IUPAC name of N-butyl-N-methyl-3-[(Z)-prop-1-enyl]iminobutan-1-amine (CID 142257797) is N-butyl-N-methyl-3-[(Z)-prop-1-enyl]iminobutan-1-amine.
What is the SMILES notation for N-butyl-N-methyl-3-[(Z)-prop-1-enyl]iminobutan-1-amine?
The canonical SMILES for N-butyl-N-methyl-3-[(Z)-prop-1-enyl]iminobutan-1-amine is C/C=C\N=C(/C)CCN(C)CCCC.
What is the InChIKey of N-butyl-N-methyl-3-[(Z)-prop-1-enyl]iminobutan-1-amine?
The InChIKey is PHAUMEPVQMZDHL-NEBWXRHNSA-N. The full InChI is InChI=1S/C12H24N2/c1-5-7-10-14(4)11-8-12(3)13-9-6-2/h6,9H,5,7-8,10-11H2,1-4H3/b9-6-,13-12+.
What are the key properties of N-butyl-N-methyl-3-[(Z)-prop-1-enyl]iminobutan-1-amine?
N-butyl-N-methyl-3-[(Z)-prop-1-enyl]iminobutan-1-amine has a molecular weight of 196.34 g/mol, XLogP of 3.10, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-methyl-3-[(Z)-prop-1-enyl]iminobutan-1-amine is sourced from PubChem (CID 142257797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).