N-[(Z)-2-propan-2-ylpenta-2,3-dienylideneamino]methanamine

C9H16N2 — CID 176532376

IUPACN-[(Z)-2-propan-2-ylpenta-2,3-dienylideneamino]methanamine
SMILESCC=C=C(/C=N\NC)C(C)C
InChIInChI=1S/C9H16N2/c1-5-6-9(8(2)3)7-11-10-4/h5,7-8,10H,1-4H3/b11-7-
InChIKeyNGFNKEPLYRTPOE-XFFZJAGNSA-N
MW152.24 g/mol
LogP1.95
Rot. Bonds3

About N-[(Z)-2-propan-2-ylpenta-2,3-dienylideneamino]methanamine

N-[(Z)-2-propan-2-ylpenta-2,3-dienylideneamino]methanamine (PubChem CID 176532376) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is N-[(Z)-2-propan-2-ylpenta-2,3-dienylideneamino]methanamine.

Molecular Properties

Compound NameN-[(Z)-2-propan-2-ylpenta-2,3-dienylideneamino]methanamine
PubChem CID176532376
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC NameN-[(Z)-2-propan-2-ylpenta-2,3-dienylideneamino]methanamine
SMILESCC=C=C(/C=N\NC)C(C)C
InChIInChI=1S/C9H16N2/c1-5-6-9(8(2)3)7-11-10-4/h5,7-8,10H,1-4H3/b11-7-
InChIKeyNGFNKEPLYRTPOE-XFFZJAGNSA-N
XLogP1.95
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.95
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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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-propan-2-ylpenta-2,3-dienylideneamino]methanamine?
The IUPAC name of N-[(Z)-2-propan-2-ylpenta-2,3-dienylideneamino]methanamine (CID 176532376) is N-[(Z)-2-propan-2-ylpenta-2,3-dienylideneamino]methanamine.
What is the SMILES notation for N-[(Z)-2-propan-2-ylpenta-2,3-dienylideneamino]methanamine?
The canonical SMILES for N-[(Z)-2-propan-2-ylpenta-2,3-dienylideneamino]methanamine is CC=C=C(/C=N\NC)C(C)C.
What is the InChIKey of N-[(Z)-2-propan-2-ylpenta-2,3-dienylideneamino]methanamine?
The InChIKey is NGFNKEPLYRTPOE-XFFZJAGNSA-N. The full InChI is InChI=1S/C9H16N2/c1-5-6-9(8(2)3)7-11-10-4/h5,7-8,10H,1-4H3/b11-7-.
What are the key properties of N-[(Z)-2-propan-2-ylpenta-2,3-dienylideneamino]methanamine?
N-[(Z)-2-propan-2-ylpenta-2,3-dienylideneamino]methanamine has a molecular weight of 152.24 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-propan-2-ylpenta-2,3-dienylideneamino]methanamine is sourced from PubChem (CID 176532376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).