N-butylethanimine

C6H13N — CID 544735

IUPACN-butylethanimine
SMILESC/C=N/CCCC
InChIInChI=1S/C6H13N/c1-3-5-6-7-4-2/h4H,3,5-6H2,1-2H3/b7-4+
InChIKeyNKGJJLDEORZFKJ-QPJJXVBHSA-N
MW99.18 g/mol
LogP1.88
Rot. Bonds3

About N-butylethanimine

N-butylethanimine (PubChem CID 544735) has the molecular formula C6H13N and a molecular weight of 99.18 g/mol. Its IUPAC name is N-butylethanimine.

Molecular Properties

Compound NameN-butylethanimine
PubChem CID544735
Molecular FormulaC6H13N
Molecular Weight99.18 g/mol
Exact Mass99.10
IUPAC NameN-butylethanimine
SMILESC/C=N/CCCC
InChIInChI=1S/C6H13N/c1-3-5-6-7-4-2/h4H,3,5-6H2,1-2H3/b7-4+
InChIKeyNKGJJLDEORZFKJ-QPJJXVBHSA-N
XLogP1.88
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.18
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-Butylidenebutylamine
CID 94840
Butyl-methylene-amine
CID 12103410
Ethanamine, N-ethylidene
CID 136926
Ethanamine, N-butylidene-
CID 137111
4-Aza-3-heptene
CID 139063
Propylamine, N-ethylidene-
CID 89354
N-Propylideneethanamine
CID 140370
(E)-N-Isopropylacetaldimine
CID 141371
Ethanamine, N-pentylidene-
CID 544805
N,N'-dimethylethane-1,2-diimine
CID 419476
n-Butyraldehyd-n-propylimin
CID 10866301
N,Na(2)-1,2-Ethanediylidenebis[1-butanamine]
CID 11953759

Frequently Asked Questions

What is the IUPAC name of N-butylethanimine?
The IUPAC name of N-butylethanimine (CID 544735) is N-butylethanimine.
What is the SMILES notation for N-butylethanimine?
The canonical SMILES for N-butylethanimine is C/C=N/CCCC.
What is the InChIKey of N-butylethanimine?
The InChIKey is NKGJJLDEORZFKJ-QPJJXVBHSA-N. The full InChI is InChI=1S/C6H13N/c1-3-5-6-7-4-2/h4H,3,5-6H2,1-2H3/b7-4+.
What are the key properties of N-butylethanimine?
N-butylethanimine has a molecular weight of 99.18 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butylethanimine is sourced from PubChem (CID 544735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).