N-[(Z)-[(Z)-2-tert-butylbut-2-enylidene]amino]methanamine

C9H18N2 — CID 146243377

IUPACN-[(Z)-[(Z)-2-tert-butylbut-2-enylidene]amino]methanamine
SMILESC/C=C(\C=N/NC)C(C)(C)C
InChIInChI=1S/C9H18N2/c1-6-8(7-11-10-5)9(2,3)4/h6-7,10H,1-5H3/b8-6+,11-7-
InChIKeyPISJNNAHXKJIMM-VJUDZZRDSA-N
MW154.26 g/mol
LogP2.18
Rot. Bonds2

About N-[(Z)-[(Z)-2-tert-butylbut-2-enylidene]amino]methanamine

N-[(Z)-[(Z)-2-tert-butylbut-2-enylidene]amino]methanamine (PubChem CID 146243377) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N-[(Z)-[(Z)-2-tert-butylbut-2-enylidene]amino]methanamine.

Molecular Properties

Compound NameN-[(Z)-[(Z)-2-tert-butylbut-2-enylidene]amino]methanamine
PubChem CID146243377
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN-[(Z)-[(Z)-2-tert-butylbut-2-enylidene]amino]methanamine
SMILESC/C=C(\C=N/NC)C(C)(C)C
InChIInChI=1S/C9H18N2/c1-6-8(7-11-10-5)9(2,3)4/h6-7,10H,1-5H3/b8-6+,11-7-
InChIKeyPISJNNAHXKJIMM-VJUDZZRDSA-N
XLogP2.18
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 131966825
CID 131966825
CID 134445338
CID 134445338
CID 137429946
CID 137429946
CID 138467973
CID 138467973
CID 138468321
CID 138468321
CID 144812531
CID 144812531
CID 144991696
CID 144991696
CID 146911062
CID 146911062
CID 156889168
CID 156889168
CID 163255034
CID 163255034
CID 164071423
CID 164071423
CID 164757518
CID 164757518

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(Z)-2-tert-butylbut-2-enylidene]amino]methanamine?
The IUPAC name of N-[(Z)-[(Z)-2-tert-butylbut-2-enylidene]amino]methanamine (CID 146243377) is N-[(Z)-[(Z)-2-tert-butylbut-2-enylidene]amino]methanamine.
What is the SMILES notation for N-[(Z)-[(Z)-2-tert-butylbut-2-enylidene]amino]methanamine?
The canonical SMILES for N-[(Z)-[(Z)-2-tert-butylbut-2-enylidene]amino]methanamine is C/C=C(\C=N/NC)C(C)(C)C.
What is the InChIKey of N-[(Z)-[(Z)-2-tert-butylbut-2-enylidene]amino]methanamine?
The InChIKey is PISJNNAHXKJIMM-VJUDZZRDSA-N. The full InChI is InChI=1S/C9H18N2/c1-6-8(7-11-10-5)9(2,3)4/h6-7,10H,1-5H3/b8-6+,11-7-.
What are the key properties of N-[(Z)-[(Z)-2-tert-butylbut-2-enylidene]amino]methanamine?
N-[(Z)-[(Z)-2-tert-butylbut-2-enylidene]amino]methanamine has a molecular weight of 154.26 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(Z)-2-tert-butylbut-2-enylidene]amino]methanamine is sourced from PubChem (CID 146243377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).