N'-[(1-methylpiperidin-2-yl)methyl]butane-1,4-diamine

C11H25N3 — CID 62657344

IUPACN'-[(1-methylpiperidin-2-yl)methyl]butane-1,4-diamine
SMILESCN1CCCCC1CNCCCCN
InChIInChI=1S/C11H25N3/c1-14-9-5-2-6-11(14)10-13-8-4-3-7-12/h11,13H,2-10,12H2,1H3
InChIKeyLSXDDEQSPJBBII-UHFFFAOYSA-N
MW199.34 g/mol
LogP0.80
Rot. Bonds6

About N'-[(1-methylpiperidin-2-yl)methyl]butane-1,4-diamine

N'-[(1-methylpiperidin-2-yl)methyl]butane-1,4-diamine (PubChem CID 62657344) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is N'-[(1-methylpiperidin-2-yl)methyl]butane-1,4-diamine.

Molecular Properties

Compound NameN'-[(1-methylpiperidin-2-yl)methyl]butane-1,4-diamine
PubChem CID62657344
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC NameN'-[(1-methylpiperidin-2-yl)methyl]butane-1,4-diamine
SMILESCN1CCCCC1CNCCCCN
InChIInChI=1S/C11H25N3/c1-14-9-5-2-6-11(14)10-13-8-4-3-7-12/h11,13H,2-10,12H2,1H3
InChIKeyLSXDDEQSPJBBII-UHFFFAOYSA-N
XLogP0.80
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-methylpyrrolidin-2-yl)methyl]nonan-1-amine
CID 106025363
N-[(1-methylpiperidin-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 62655431
3-cyclopropyl-N-[(1-methylpyrrolidin-2-yl)methyl]propan-1-amine
CID 102551343
2-[(1-methylpiperidin-2-yl)methylamino]ethylurea
CID 83111623
[(2S)-1-methylpiperidin-2-yl]methylhydrazine
CID 45087985
2-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]ethanamine
CID 131228052
4-[(1-methylpiperidin-2-yl)methoxy]butan-1-amine
CID 65469045
3-(2-methoxyethoxy)-N-[(1-methylpyrrolidin-2-yl)methyl]propan-1-amine
CID 106025656
N'-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]propane-1,3-diamine
CID 142254760
3-[[(1-methylpiperidin-2-yl)methylamino]methyl]cyclopentan-1-ol
CID 106120803
4-iodo-N-[2-(1-methylpiperidin-2-yl)ethyl]butan-1-amine
CID 107914068
N-[(1-methylpiperidin-2-yl)methyl]hydroxylamine
CID 82684324

Frequently Asked Questions

What is the IUPAC name of N'-[(1-methylpiperidin-2-yl)methyl]butane-1,4-diamine?
The IUPAC name of N'-[(1-methylpiperidin-2-yl)methyl]butane-1,4-diamine (CID 62657344) is N'-[(1-methylpiperidin-2-yl)methyl]butane-1,4-diamine.
What is the SMILES notation for N'-[(1-methylpiperidin-2-yl)methyl]butane-1,4-diamine?
The canonical SMILES for N'-[(1-methylpiperidin-2-yl)methyl]butane-1,4-diamine is CN1CCCCC1CNCCCCN.
What is the InChIKey of N'-[(1-methylpiperidin-2-yl)methyl]butane-1,4-diamine?
The InChIKey is LSXDDEQSPJBBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3/c1-14-9-5-2-6-11(14)10-13-8-4-3-7-12/h11,13H,2-10,12H2,1H3.
What are the key properties of N'-[(1-methylpiperidin-2-yl)methyl]butane-1,4-diamine?
N'-[(1-methylpiperidin-2-yl)methyl]butane-1,4-diamine has a molecular weight of 199.34 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1-methylpiperidin-2-yl)methyl]butane-1,4-diamine is sourced from PubChem (CID 62657344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).