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

C14H30N2 — CID 172576071

IUPACN-[(Z)-1-(butan-2-ylideneamino)prop-1-en-2-yl]-3-methylbutan-1-amine;ethane
SMILESCC.CC/C(C)=N/C=C(/C)NCCC(C)C
InChIInChI=1S/C12H24N2.C2H6/c1-6-11(4)14-9-12(5)13-8-7-10(2)3;1-2/h9-10,13H,6-8H2,1-5H3;1-2H3/b12-9-,14-11+;
InChIKeyHHKNSUYUHGSAEJ-FPSZOWTFSA-N
MW226.41 g/mol
LogP4.38
Rot. Bonds6

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

N-[(Z)-1-(butan-2-ylideneamino)prop-1-en-2-yl]-3-methylbutan-1-amine;ethane (PubChem CID 172576071) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N-[(Z)-1-(butan-2-ylideneamino)prop-1-en-2-yl]-3-methylbutan-1-amine;ethane.

Molecular Properties

Compound NameN-[(Z)-1-(butan-2-ylideneamino)prop-1-en-2-yl]-3-methylbutan-1-amine;ethane
PubChem CID172576071
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN-[(Z)-1-(butan-2-ylideneamino)prop-1-en-2-yl]-3-methylbutan-1-amine;ethane
SMILESCC.CC/C(C)=N/C=C(/C)NCCC(C)C
InChIInChI=1S/C12H24N2.C2H6/c1-6-11(4)14-9-12(5)13-8-7-10(2)3;1-2/h9-10,13H,6-8H2,1-5H3;1-2H3/b12-9-,14-11+;
InChIKeyHHKNSUYUHGSAEJ-FPSZOWTFSA-N
XLogP4.38
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 54.38
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

1,6-dimethyl-3-propan-2-yl-2H-pyrazine
CID 70454200
(Z)-1-(3-methylbutan-2-ylideneamino)prop-1-en-2-amine
CID 141835419
(Z)-N-ethyl-1-(propan-2-ylideneamino)prop-1-en-2-amine
CID 141866425
N,N'-dimethyl-N'-[(E)-1-(3-methylbutan-2-ylideneamino)prop-1-en-2-yl]ethane-1,2-diamine;ethane
CID 142358667
Ethane;2-(6-methyl-1,2-dihydropyrazin-3-yl)ethanamine
CID 143829320
2-(1,6-dimethyl-2H-pyrazin-3-yl)ethanamine
CID 143832140
4-methylimino-N-prop-1-en-2-ylpentan-1-amine
CID 145519628
3,6-Dimethyl-1,2-dihydropyrazine;ethane
CID 145642111
6-Ethyl-3-propan-2-yl-1,2-dihydropyrazine
CID 155469412
3-Methyl-6-propan-2-yl-1,2-dihydropyrazine
CID 169658512
(Z)-N-methyl-1-(5-methylhexan-3-ylideneamino)prop-1-en-2-amine
CID 170193886
Ethane;2,3,5-trimethyl-1,2-dihydropyrazine
CID 171629306

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(butan-2-ylideneamino)prop-1-en-2-yl]-3-methylbutan-1-amine;ethane?
The IUPAC name of N-[(Z)-1-(butan-2-ylideneamino)prop-1-en-2-yl]-3-methylbutan-1-amine;ethane (CID 172576071) is N-[(Z)-1-(butan-2-ylideneamino)prop-1-en-2-yl]-3-methylbutan-1-amine;ethane.
What is the SMILES notation for N-[(Z)-1-(butan-2-ylideneamino)prop-1-en-2-yl]-3-methylbutan-1-amine;ethane?
The canonical SMILES for N-[(Z)-1-(butan-2-ylideneamino)prop-1-en-2-yl]-3-methylbutan-1-amine;ethane is CC.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;ethane?
The InChIKey is HHKNSUYUHGSAEJ-FPSZOWTFSA-N. The full InChI is InChI=1S/C12H24N2.C2H6/c1-6-11(4)14-9-12(5)13-8-7-10(2)3;1-2/h9-10,13H,6-8H2,1-5H3;1-2H3/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;ethane?
N-[(Z)-1-(butan-2-ylideneamino)prop-1-en-2-yl]-3-methylbutan-1-amine;ethane has a molecular weight of 226.41 g/mol, XLogP of 4.38, 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;ethane is sourced from PubChem (CID 172576071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).