N-[(butan-2-ylideneamino)methyl]propan-1-amine

C8H18N2 — CID 123164977

IUPACN-[(butan-2-ylideneamino)methyl]propan-1-amine
SMILESCCCNCN=C(C)CC
InChIInChI=1S/C8H18N2/c1-4-6-9-7-10-8(3)5-2/h9H,4-7H2,1-3H3
InChIKeyNLNQAFYWZWUBHV-UHFFFAOYSA-N
MW142.25 g/mol
LogP1.81
Rot. Bonds5

About N-[(butan-2-ylideneamino)methyl]propan-1-amine

N-[(butan-2-ylideneamino)methyl]propan-1-amine (PubChem CID 123164977) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is N-[(butan-2-ylideneamino)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(butan-2-ylideneamino)methyl]propan-1-amine
PubChem CID123164977
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC NameN-[(butan-2-ylideneamino)methyl]propan-1-amine
SMILESCCCNCN=C(C)CC
InChIInChI=1S/C8H18N2/c1-4-6-9-7-10-8(3)5-2/h9H,4-7H2,1-3H3
InChIKeyNLNQAFYWZWUBHV-UHFFFAOYSA-N
XLogP1.81
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(butan-2-ylideneamino)methyl]propan-1-amine?
The IUPAC name of N-[(butan-2-ylideneamino)methyl]propan-1-amine (CID 123164977) is N-[(butan-2-ylideneamino)methyl]propan-1-amine.
What is the SMILES notation for N-[(butan-2-ylideneamino)methyl]propan-1-amine?
The canonical SMILES for N-[(butan-2-ylideneamino)methyl]propan-1-amine is CCCNCN=C(C)CC.
What is the InChIKey of N-[(butan-2-ylideneamino)methyl]propan-1-amine?
The InChIKey is NLNQAFYWZWUBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2/c1-4-6-9-7-10-8(3)5-2/h9H,4-7H2,1-3H3.
What are the key properties of N-[(butan-2-ylideneamino)methyl]propan-1-amine?
N-[(butan-2-ylideneamino)methyl]propan-1-amine has a molecular weight of 142.25 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(butan-2-ylideneamino)methyl]propan-1-amine is sourced from PubChem (CID 123164977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).