N-benzylbutan-1-amine;ethane;ethene

C15H27N — CID 143478756

IUPACN-benzylbutan-1-amine;ethane;ethene
SMILESC=C.CC.CCCCNCc1ccccc1
InChIInChI=1S/C11H17N.C2H6.C2H4/c1-2-3-9-12-10-11-7-5-4-6-8-11;2*1-2/h4-8,12H,2-3,9-10H2,1H3;1-2H3;1-2H2
InChIKeyQADCQPQUMBZOTN-UHFFFAOYSA-N
MW221.39 g/mol
LogP4.40
Rot. Bonds5

About N-benzylbutan-1-amine;ethane;ethene

N-benzylbutan-1-amine;ethane;ethene (PubChem CID 143478756) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is N-benzylbutan-1-amine;ethane;ethene.

Molecular Properties

Compound NameN-benzylbutan-1-amine;ethane;ethene
PubChem CID143478756
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC NameN-benzylbutan-1-amine;ethane;ethene
SMILESC=C.CC.CCCCNCc1ccccc1
InChIInChI=1S/C11H17N.C2H6.C2H4/c1-2-3-9-12-10-11-7-5-4-6-8-11;2*1-2/h4-8,12H,2-3,9-10H2,1H3;1-2H3;1-2H2
InChIKeyQADCQPQUMBZOTN-UHFFFAOYSA-N
XLogP4.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

azane;N-benzylbutan-1-amine
CID 175388745
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CID 173249552
N-benzylpropan-1-amine;ethane;propane
CID 145164103
N-[(3-phenylphenyl)methyl]butan-1-amine
CID 143730609
N-benzyl-2-dibutylphosphanylethanamine
CID 139967291
N,N'-dibenzylhexane-1,6-diamine;dihydrobromide
CID 131880779
N,N'-bis[5-(benzylamino)pentyl]hexane-1,6-diamine;tetrahydrochloride
CID 72715173
N-benzyl-2-[2-(2-butoxyethoxy)ethoxy]ethanamine
CID 104561301
N-[[3,5-bis(butylaminomethyl)phenyl]methyl]butan-1-amine
CID 10592779
N-benzyl-1-phenylmethanamine;butan-1-amine
CID 174958540
N-benzyl-5-silylpentan-1-amine
CID 123625500
N-butyl-N'-(2-phenylethyl)ethane-1,2-diamine
CID 54806957

Frequently Asked Questions

What is the IUPAC name of N-benzylbutan-1-amine;ethane;ethene?
The IUPAC name of N-benzylbutan-1-amine;ethane;ethene (CID 143478756) is N-benzylbutan-1-amine;ethane;ethene.
What is the SMILES notation for N-benzylbutan-1-amine;ethane;ethene?
The canonical SMILES for N-benzylbutan-1-amine;ethane;ethene is C=C.CC.CCCCNCc1ccccc1.
What is the InChIKey of N-benzylbutan-1-amine;ethane;ethene?
The InChIKey is QADCQPQUMBZOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N.C2H6.C2H4/c1-2-3-9-12-10-11-7-5-4-6-8-11;2*1-2/h4-8,12H,2-3,9-10H2,1H3;1-2H3;1-2H2.
What are the key properties of N-benzylbutan-1-amine;ethane;ethene?
N-benzylbutan-1-amine;ethane;ethene has a molecular weight of 221.39 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylbutan-1-amine;ethane;ethene is sourced from PubChem (CID 143478756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).