N-butyl-2-ethyl-3-methylbutan-1-imine

C11H23N — CID 167084684

IUPACN-butyl-2-ethyl-3-methylbutan-1-imine
SMILESCCCC/N=C/C(CC)C(C)C
InChIInChI=1S/C11H23N/c1-5-7-8-12-9-11(6-2)10(3)4/h9-11H,5-8H2,1-4H3/b12-9+
InChIKeyDNUCHUIDGSAHNY-FMIVXFBMSA-N
MW169.31 g/mol
LogP3.54
Rot. Bonds6

About N-butyl-2-ethyl-3-methylbutan-1-imine

N-butyl-2-ethyl-3-methylbutan-1-imine (PubChem CID 167084684) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is N-butyl-2-ethyl-3-methylbutan-1-imine.

Molecular Properties

Compound NameN-butyl-2-ethyl-3-methylbutan-1-imine
PubChem CID167084684
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC NameN-butyl-2-ethyl-3-methylbutan-1-imine
SMILESCCCC/N=C/C(CC)C(C)C
InChIInChI=1S/C11H23N/c1-5-7-8-12-9-11(6-2)10(3)4/h9-11H,5-8H2,1-4H3/b12-9+
InChIKeyDNUCHUIDGSAHNY-FMIVXFBMSA-N
XLogP3.54
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 53.54
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

ethyl 3-butylimino-2-methylpropanoate
CID 57183521
N-(3-bromopropyl)-2-ethylbutan-1-imine
CID 134884116
(2R,3R,4S,5S)-6-butylimino-2-ethylhexane-1,3,4,5-tetrol
CID 87995715
N-butylethanimine;ethane
CID 142024896
(2R,3S,4R,5S)-1-pentyliminohexane-2,3,4,5-tetrol
CID 170858132
(Z)-2-[(2-ethyl-3-methylbutylidene)amino]but-1-en-1-amine
CID 135280378
4-N-butan-2-yl-1-N-butylpentane-1,4-diimine
CID 91442488
CID 5494236
CID 5494236
(4S)-4-ethyl-2,5-dimethylhex-2-ene
CID 59076460
butyliminomethanesulfinic acid
CID 91559800
N,N'-dipentylmethanimidamide
CID 87074104
N-tetradecyltridecan-1-imine
CID 175147598

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-ethyl-3-methylbutan-1-imine?
The IUPAC name of N-butyl-2-ethyl-3-methylbutan-1-imine (CID 167084684) is N-butyl-2-ethyl-3-methylbutan-1-imine.
What is the SMILES notation for N-butyl-2-ethyl-3-methylbutan-1-imine?
The canonical SMILES for N-butyl-2-ethyl-3-methylbutan-1-imine is CCCC/N=C/C(CC)C(C)C.
What is the InChIKey of N-butyl-2-ethyl-3-methylbutan-1-imine?
The InChIKey is DNUCHUIDGSAHNY-FMIVXFBMSA-N. The full InChI is InChI=1S/C11H23N/c1-5-7-8-12-9-11(6-2)10(3)4/h9-11H,5-8H2,1-4H3/b12-9+.
What are the key properties of N-butyl-2-ethyl-3-methylbutan-1-imine?
N-butyl-2-ethyl-3-methylbutan-1-imine has a molecular weight of 169.31 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-ethyl-3-methylbutan-1-imine is sourced from PubChem (CID 167084684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).