azane;N-benzylbutan-1-amine

C11H20N2 — CID 175388745

IUPACazane;N-benzylbutan-1-amine
SMILESCCCCNCc1ccccc1.N
InChIInChI=1S/C11H17N.H3N/c1-2-3-9-12-10-11-7-5-4-6-8-11;/h4-8,12H,2-3,9-10H2,1H3;1H3
InChIKeyWZJJXZZYNKICRJ-UHFFFAOYSA-N
MW180.30 g/mol
LogP2.74
Rot. Bonds5

About azane;N-benzylbutan-1-amine

azane;N-benzylbutan-1-amine (PubChem CID 175388745) has the molecular formula C11H20N2 and a molecular weight of 180.30 g/mol. Its IUPAC name is azane;N-benzylbutan-1-amine.

Molecular Properties

Compound Nameazane;N-benzylbutan-1-amine
PubChem CID175388745
Molecular FormulaC11H20N2
Molecular Weight180.30 g/mol
Exact Mass180.16
IUPAC Nameazane;N-benzylbutan-1-amine
SMILESCCCCNCc1ccccc1.N
InChIInChI=1S/C11H17N.H3N/c1-2-3-9-12-10-11-7-5-4-6-8-11;/h4-8,12H,2-3,9-10H2,1H3;1H3
InChIKeyWZJJXZZYNKICRJ-UHFFFAOYSA-N
XLogP2.74
TPSA47.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzylbutan-1-amine;ethane;ethene
CID 143478756
N-benzyltridecan-1-amine;hydrochloride
CID 173249552
N-[(3-phenylphenyl)methyl]butan-1-amine
CID 143730609
N-benzyl-2-dibutylphosphanylethanamine
CID 139967291
N-benzylpropan-1-amine;ethane;propane
CID 145164103
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 azane;N-benzylbutan-1-amine?
The IUPAC name of azane;N-benzylbutan-1-amine (CID 175388745) is azane;N-benzylbutan-1-amine.
What is the SMILES notation for azane;N-benzylbutan-1-amine?
The canonical SMILES for azane;N-benzylbutan-1-amine is CCCCNCc1ccccc1.N.
What is the InChIKey of azane;N-benzylbutan-1-amine?
The InChIKey is WZJJXZZYNKICRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N.H3N/c1-2-3-9-12-10-11-7-5-4-6-8-11;/h4-8,12H,2-3,9-10H2,1H3;1H3.
What are the key properties of azane;N-benzylbutan-1-amine?
azane;N-benzylbutan-1-amine has a molecular weight of 180.30 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;N-benzylbutan-1-amine is sourced from PubChem (CID 175388745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).