1-methylpiperidine;pentan-1-amine;hydrate

C11H28N2O — CID 175112492

IUPAC1-methylpiperidine;pentan-1-amine;hydrate
SMILESCCCCCN.CN1CCCCC1.O
InChIInChI=1S/C6H13N.C5H13N.H2O/c1-7-5-3-2-4-6-7;1-2-3-4-5-6;/h2-6H2,1H3;2-6H2,1H3;1H2
InChIKeyUQGZOISLEPTPPW-UHFFFAOYSA-N
MW204.36 g/mol
LogP1.41
Rot. Bonds3

About 1-methylpiperidine;pentan-1-amine;hydrate

1-methylpiperidine;pentan-1-amine;hydrate (PubChem CID 175112492) has the molecular formula C11H28N2O and a molecular weight of 204.36 g/mol. Its IUPAC name is 1-methylpiperidine;pentan-1-amine;hydrate.

Molecular Properties

Compound Name1-methylpiperidine;pentan-1-amine;hydrate
PubChem CID175112492
Molecular FormulaC11H28N2O
Molecular Weight204.36 g/mol
Exact Mass204.22
IUPAC Name1-methylpiperidine;pentan-1-amine;hydrate
SMILESCCCCCN.CN1CCCCC1.O
InChIInChI=1S/C6H13N.C5H13N.H2O/c1-7-5-3-2-4-6-7;1-2-3-4-5-6;/h2-6H2,1H3;2-6H2,1H3;1H2
InChIKeyUQGZOISLEPTPPW-UHFFFAOYSA-N
XLogP1.41
TPSA60.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cyclohexane;pentan-1-amine
CID 67995993
ethanamine;ethane;1-methylpiperidine
CID 177317211
4-(4-pentylpiperazin-1-yl)butan-1-amine
CID 43252747
1-bromopentane;1-methylpyrrolidine
CID 175404459
butane;1-methylpyrrolidine
CID 143371006
nonan-1-amine;dihydrate
CID 174770026
octadecan-1-amine;hydrate
CID 158026408
hexan-1-amine;dihydrate
CID 174459608
4-(4-pentyl-1,4-diazepan-1-yl)butan-1-amine
CID 43252830
5-(4-nonylpiperazin-1-yl)pentan-1-amine
CID 43253095
4-(4-nonyl-1,4-diazepan-1-yl)butan-1-amine
CID 43252867
3-(4-butylpiperazin-1-yl)propan-1-amine;2-piperidin-1-ylethanamine
CID 54346407

Frequently Asked Questions

What is the IUPAC name of 1-methylpiperidine;pentan-1-amine;hydrate?
The IUPAC name of 1-methylpiperidine;pentan-1-amine;hydrate (CID 175112492) is 1-methylpiperidine;pentan-1-amine;hydrate.
What is the SMILES notation for 1-methylpiperidine;pentan-1-amine;hydrate?
The canonical SMILES for 1-methylpiperidine;pentan-1-amine;hydrate is CCCCCN.CN1CCCCC1.O.
What is the InChIKey of 1-methylpiperidine;pentan-1-amine;hydrate?
The InChIKey is UQGZOISLEPTPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C5H13N.H2O/c1-7-5-3-2-4-6-7;1-2-3-4-5-6;/h2-6H2,1H3;2-6H2,1H3;1H2.
What are the key properties of 1-methylpiperidine;pentan-1-amine;hydrate?
1-methylpiperidine;pentan-1-amine;hydrate has a molecular weight of 204.36 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpiperidine;pentan-1-amine;hydrate is sourced from PubChem (CID 175112492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).