N-[(E)-butylideneamino]-3-methyliminopropan-1-amine

C8H17N3 — CID 134351173

IUPACN-[(E)-butylideneamino]-3-methyliminopropan-1-amine
SMILESCCC/C=N/NCC/C=N/C
InChIInChI=1S/C8H17N3/c1-3-4-7-10-11-8-5-6-9-2/h6-7,11H,3-5,8H2,1-2H3/b9-6+,10-7+
InChIKeyQWOCCZZZBGLEBF-KZZDLZNXSA-N
MW155.25 g/mol
LogP1.45
Rot. Bonds6

About N-[(E)-butylideneamino]-3-methyliminopropan-1-amine

N-[(E)-butylideneamino]-3-methyliminopropan-1-amine (PubChem CID 134351173) has the molecular formula C8H17N3 and a molecular weight of 155.25 g/mol. Its IUPAC name is N-[(E)-butylideneamino]-3-methyliminopropan-1-amine.

Molecular Properties

Compound NameN-[(E)-butylideneamino]-3-methyliminopropan-1-amine
PubChem CID134351173
Molecular FormulaC8H17N3
Molecular Weight155.25 g/mol
Exact Mass155.14
IUPAC NameN-[(E)-butylideneamino]-3-methyliminopropan-1-amine
SMILESCCC/C=N/NCC/C=N/C
InChIInChI=1S/C8H17N3/c1-3-4-7-10-11-8-5-6-9-2/h6-7,11H,3-5,8H2,1-2H3/b9-6+,10-7+
InChIKeyQWOCCZZZBGLEBF-KZZDLZNXSA-N
XLogP1.45
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.25
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[(E)-butylideneamino]-3-methyliminopropan-1-amine?
The IUPAC name of N-[(E)-butylideneamino]-3-methyliminopropan-1-amine (CID 134351173) is N-[(E)-butylideneamino]-3-methyliminopropan-1-amine.
What is the SMILES notation for N-[(E)-butylideneamino]-3-methyliminopropan-1-amine?
The canonical SMILES for N-[(E)-butylideneamino]-3-methyliminopropan-1-amine is CCC/C=N/NCC/C=N/C.
What is the InChIKey of N-[(E)-butylideneamino]-3-methyliminopropan-1-amine?
The InChIKey is QWOCCZZZBGLEBF-KZZDLZNXSA-N. The full InChI is InChI=1S/C8H17N3/c1-3-4-7-10-11-8-5-6-9-2/h6-7,11H,3-5,8H2,1-2H3/b9-6+,10-7+.
What are the key properties of N-[(E)-butylideneamino]-3-methyliminopropan-1-amine?
N-[(E)-butylideneamino]-3-methyliminopropan-1-amine has a molecular weight of 155.25 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-butylideneamino]-3-methyliminopropan-1-amine is sourced from PubChem (CID 134351173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).