N-methyl-1-[(Z)-[(Z)-4-(methylideneamino)hex-3-en-2-ylidene]amino]methanamine

C9H17N3 — CID 154642645

IUPACN-methyl-1-[(Z)-[(Z)-4-(methylideneamino)hex-3-en-2-ylidene]amino]methanamine
SMILESC=N/C(=C\C(C)=N/CNC)CC
InChIInChI=1S/C9H17N3/c1-5-9(11-4)6-8(2)12-7-10-3/h6,10H,4-5,7H2,1-3H3/b9-6-,12-8-
InChIKeyJPYKXXWAPHUOQA-ZVYJERETSA-N
MW167.26 g/mol
LogP1.62
Rot. Bonds5

About N-methyl-1-[(Z)-[(Z)-4-(methylideneamino)hex-3-en-2-ylidene]amino]methanamine

N-methyl-1-[(Z)-[(Z)-4-(methylideneamino)hex-3-en-2-ylidene]amino]methanamine (PubChem CID 154642645) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is N-methyl-1-[(Z)-[(Z)-4-(methylideneamino)hex-3-en-2-ylidene]amino]methanamine.

Molecular Properties

Compound NameN-methyl-1-[(Z)-[(Z)-4-(methylideneamino)hex-3-en-2-ylidene]amino]methanamine
PubChem CID154642645
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC NameN-methyl-1-[(Z)-[(Z)-4-(methylideneamino)hex-3-en-2-ylidene]amino]methanamine
SMILESC=N/C(=C\C(C)=N/CNC)CC
InChIInChI=1S/C9H17N3/c1-5-9(11-4)6-8(2)12-7-10-3/h6,10H,4-5,7H2,1-3H3/b9-6-,12-8-
InChIKeyJPYKXXWAPHUOQA-ZVYJERETSA-N
XLogP1.62
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-methyl-1-[(Z)-[(Z)-4-(methylideneamino)hex-3-en-2-ylidene]amino]methanamine?
The IUPAC name of N-methyl-1-[(Z)-[(Z)-4-(methylideneamino)hex-3-en-2-ylidene]amino]methanamine (CID 154642645) is N-methyl-1-[(Z)-[(Z)-4-(methylideneamino)hex-3-en-2-ylidene]amino]methanamine.
What is the SMILES notation for N-methyl-1-[(Z)-[(Z)-4-(methylideneamino)hex-3-en-2-ylidene]amino]methanamine?
The canonical SMILES for N-methyl-1-[(Z)-[(Z)-4-(methylideneamino)hex-3-en-2-ylidene]amino]methanamine is C=N/C(=C\C(C)=N/CNC)CC.
What is the InChIKey of N-methyl-1-[(Z)-[(Z)-4-(methylideneamino)hex-3-en-2-ylidene]amino]methanamine?
The InChIKey is JPYKXXWAPHUOQA-ZVYJERETSA-N. The full InChI is InChI=1S/C9H17N3/c1-5-9(11-4)6-8(2)12-7-10-3/h6,10H,4-5,7H2,1-3H3/b9-6-,12-8-.
What are the key properties of N-methyl-1-[(Z)-[(Z)-4-(methylideneamino)hex-3-en-2-ylidene]amino]methanamine?
N-methyl-1-[(Z)-[(Z)-4-(methylideneamino)hex-3-en-2-ylidene]amino]methanamine has a molecular weight of 167.26 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(Z)-[(Z)-4-(methylideneamino)hex-3-en-2-ylidene]amino]methanamine is sourced from PubChem (CID 154642645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).