N-[(Z)-1-(butan-2-ylideneamino)prop-1-en-2-yl]-3-methylbutan-1-amine

C12H24N2 — CID 172576072

IUPACN-[(Z)-1-(butan-2-ylideneamino)prop-1-en-2-yl]-3-methylbutan-1-amine
SMILESCC/C(C)=N/C=C(/C)NCCC(C)C
InChIInChI=1S/C12H24N2/c1-6-11(4)14-9-12(5)13-8-7-10(2)3/h9-10,13H,6-8H2,1-5H3/b12-9-,14-11+
InChIKeyFKKSZHLURJYSEW-MMFCQQQJSA-N
MW196.34 g/mol
LogP3.35
Rot. Bonds6

About N-[(Z)-1-(butan-2-ylideneamino)prop-1-en-2-yl]-3-methylbutan-1-amine

N-[(Z)-1-(butan-2-ylideneamino)prop-1-en-2-yl]-3-methylbutan-1-amine (PubChem CID 172576072) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N-[(Z)-1-(butan-2-ylideneamino)prop-1-en-2-yl]-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-[(Z)-1-(butan-2-ylideneamino)prop-1-en-2-yl]-3-methylbutan-1-amine
PubChem CID172576072
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN-[(Z)-1-(butan-2-ylideneamino)prop-1-en-2-yl]-3-methylbutan-1-amine
SMILESCC/C(C)=N/C=C(/C)NCCC(C)C
InChIInChI=1S/C12H24N2/c1-6-11(4)14-9-12(5)13-8-7-10(2)3/h9-10,13H,6-8H2,1-5H3/b12-9-,14-11+
InChIKeyFKKSZHLURJYSEW-MMFCQQQJSA-N
XLogP3.35
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(butan-2-ylideneamino)prop-1-en-2-yl]-3-methylbutan-1-amine?
The IUPAC name of N-[(Z)-1-(butan-2-ylideneamino)prop-1-en-2-yl]-3-methylbutan-1-amine (CID 172576072) is N-[(Z)-1-(butan-2-ylideneamino)prop-1-en-2-yl]-3-methylbutan-1-amine.
What is the SMILES notation for N-[(Z)-1-(butan-2-ylideneamino)prop-1-en-2-yl]-3-methylbutan-1-amine?
The canonical SMILES for N-[(Z)-1-(butan-2-ylideneamino)prop-1-en-2-yl]-3-methylbutan-1-amine is CC/C(C)=N/C=C(/C)NCCC(C)C.
What is the InChIKey of N-[(Z)-1-(butan-2-ylideneamino)prop-1-en-2-yl]-3-methylbutan-1-amine?
The InChIKey is FKKSZHLURJYSEW-MMFCQQQJSA-N. The full InChI is InChI=1S/C12H24N2/c1-6-11(4)14-9-12(5)13-8-7-10(2)3/h9-10,13H,6-8H2,1-5H3/b12-9-,14-11+.
What are the key properties of N-[(Z)-1-(butan-2-ylideneamino)prop-1-en-2-yl]-3-methylbutan-1-amine?
N-[(Z)-1-(butan-2-ylideneamino)prop-1-en-2-yl]-3-methylbutan-1-amine has a molecular weight of 196.34 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(butan-2-ylideneamino)prop-1-en-2-yl]-3-methylbutan-1-amine is sourced from PubChem (CID 172576072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).