N-[(Z)-5-amino-2-methylhex-4-en-3-ylidene]-N'-methylethanimidamide;ethane

C16H37N3 — CID 172597690

IUPACN-[(Z)-5-amino-2-methylhex-4-en-3-ylidene]-N'-methylethanimidamide;ethane
SMILESC/N=C(C)/N=C(/C=C(/C)N)C(C)C.CC.CC.CC
InChIInChI=1S/C10H19N3.3C2H6/c1-7(2)10(6-8(3)11)13-9(4)12-5;3*1-2/h6-7H,11H2,1-5H3;3*1-2H3/b8-6-,12-9+,13-10-;;;
InChIKeyQSNBVOCFOCAMHD-BBYFLTQBSA-N
MW271.49 g/mol
LogP5.07
Rot. Bonds2

About N-[(Z)-5-amino-2-methylhex-4-en-3-ylidene]-N'-methylethanimidamide;ethane

N-[(Z)-5-amino-2-methylhex-4-en-3-ylidene]-N'-methylethanimidamide;ethane (PubChem CID 172597690) has the molecular formula C16H37N3 and a molecular weight of 271.49 g/mol. Its IUPAC name is N-[(Z)-5-amino-2-methylhex-4-en-3-ylidene]-N'-methylethanimidamide;ethane.

Molecular Properties

Compound NameN-[(Z)-5-amino-2-methylhex-4-en-3-ylidene]-N'-methylethanimidamide;ethane
PubChem CID172597690
Molecular FormulaC16H37N3
Molecular Weight271.49 g/mol
Exact Mass271.30
IUPAC NameN-[(Z)-5-amino-2-methylhex-4-en-3-ylidene]-N'-methylethanimidamide;ethane
SMILESC/N=C(C)/N=C(/C=C(/C)N)C(C)C.CC.CC.CC
InChIInChI=1S/C10H19N3.3C2H6/c1-7(2)10(6-8(3)11)13-9(4)12-5;3*1-2/h6-7H,11H2,1-5H3;3*1-2H3/b8-6-,12-9+,13-10-;;;
InChIKeyQSNBVOCFOCAMHD-BBYFLTQBSA-N
XLogP5.07
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.49
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-[(Z)-hex-2-en-3-yl]-2-methylbutanimidamide
CID 132186698
(3Z)-5-(3-aminobut-3-en-2-yl)-N',2,2-trimethylnona-3,6-dienimidamide
CID 146642727
2-methylbutane;N'-(2-methylpropyl)ethanimidamide;5-(2-methylpropyl)-3H-pyrrole
CID 164952304
(Z)-5-methyl-4-methyliminohex-2-en-2-amine
CID 167071461
N'-[(E)-5-methylhept-3-en-4-yl]ethanimidamide
CID 170024189
ethane;N'-methyl-N-[(4Z)-2-methyl-5-(methylamino)hexa-1,4-dien-3-ylidene]ethanimidamide
CID 172597542
5-Methyl-4-methyliminohex-2-en-2-amine
CID 174007821
(Z)-6-methyl-5-methyliminohept-3-en-3-amine
CID 176693431
(Z)-4-ethylimino-5-methylhex-2-en-2-amine
CID 176693626
(E)-5-methyl-4-methyliminohex-2-en-2-amine
CID 178003977
N'-methyl-N-[(4Z)-2-methyl-5-(methylamino)hexa-1,4-dien-3-ylidene]ethanimidamide
CID 172597543
N-[(Z)-5-amino-2-methylhex-4-en-3-ylidene]-N'-methylethanimidamide
CID 172597691

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-5-amino-2-methylhex-4-en-3-ylidene]-N'-methylethanimidamide;ethane?
The IUPAC name of N-[(Z)-5-amino-2-methylhex-4-en-3-ylidene]-N'-methylethanimidamide;ethane (CID 172597690) is N-[(Z)-5-amino-2-methylhex-4-en-3-ylidene]-N'-methylethanimidamide;ethane.
What is the SMILES notation for N-[(Z)-5-amino-2-methylhex-4-en-3-ylidene]-N'-methylethanimidamide;ethane?
The canonical SMILES for N-[(Z)-5-amino-2-methylhex-4-en-3-ylidene]-N'-methylethanimidamide;ethane is C/N=C(C)/N=C(/C=C(/C)N)C(C)C.CC.CC.CC.
What is the InChIKey of N-[(Z)-5-amino-2-methylhex-4-en-3-ylidene]-N'-methylethanimidamide;ethane?
The InChIKey is QSNBVOCFOCAMHD-BBYFLTQBSA-N. The full InChI is InChI=1S/C10H19N3.3C2H6/c1-7(2)10(6-8(3)11)13-9(4)12-5;3*1-2/h6-7H,11H2,1-5H3;3*1-2H3/b8-6-,12-9+,13-10-;;;.
What are the key properties of N-[(Z)-5-amino-2-methylhex-4-en-3-ylidene]-N'-methylethanimidamide;ethane?
N-[(Z)-5-amino-2-methylhex-4-en-3-ylidene]-N'-methylethanimidamide;ethane has a molecular weight of 271.49 g/mol, XLogP of 5.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-5-amino-2-methylhex-4-en-3-ylidene]-N'-methylethanimidamide;ethane is sourced from PubChem (CID 172597690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).