N-[(2-methylpiperidin-2-yl)methyl]butan-1-amine

C11H24N2 — CID 104594837

IUPACN-[(2-methylpiperidin-2-yl)methyl]butan-1-amine
SMILESCCCCNCC1(C)CCCCN1
InChIInChI=1S/C11H24N2/c1-3-4-8-12-10-11(2)7-5-6-9-13-11/h12-13H,3-10H2,1-2H3
InChIKeyGRXFDEVACWQMIN-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.91
Rot. Bonds5

About N-[(2-methylpiperidin-2-yl)methyl]butan-1-amine

N-[(2-methylpiperidin-2-yl)methyl]butan-1-amine (PubChem CID 104594837) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is N-[(2-methylpiperidin-2-yl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-[(2-methylpiperidin-2-yl)methyl]butan-1-amine
PubChem CID104594837
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC NameN-[(2-methylpiperidin-2-yl)methyl]butan-1-amine
SMILESCCCCNCC1(C)CCCCN1
InChIInChI=1S/C11H24N2/c1-3-4-8-12-10-11(2)7-5-6-9-13-11/h12-13H,3-10H2,1-2H3
InChIKeyGRXFDEVACWQMIN-UHFFFAOYSA-N
XLogP1.91
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.91
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

2-methyl-N-[(2-methylpiperidin-2-yl)methyl]propan-1-amine
CID 104594825
2-methyl-N-[(2-methylpiperidin-2-yl)methyl]propan-2-amine
CID 104594815
N-butyl-N-[(2-methylpiperidin-2-yl)methyl]butan-1-amine
CID 113430567
N-[(2-methylpyrrolidin-2-yl)methyl]hexanamide
CID 114761896
2,3-dimethyl-N-[(2-methylpyrrolidin-2-yl)methyl]butan-1-amine
CID 64599570
N-[(1-methylcyclopropyl)methyl]hexan-1-amine
CID 107165769
N-[(2-methylpiperidin-2-yl)methyl]-1-(oxan-2-yl)methanamine
CID 104594958
N-[(2-methylpiperidin-2-yl)methyl]-1-thiophen-2-ylmethanamine
CID 104594809
N-[(2-methylpiperidin-2-yl)methyl]-N-propan-2-ylpentan-1-amine
CID 104594932
1-(butylaminomethyl)cyclopropan-1-ol
CID 89141441
N-[(2-methylpyrrolidin-2-yl)methyl]propanamide
CID 114761754
1-[(dodecylamino)methyl]cyclopentan-1-ol
CID 65108837

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpiperidin-2-yl)methyl]butan-1-amine?
The IUPAC name of N-[(2-methylpiperidin-2-yl)methyl]butan-1-amine (CID 104594837) is N-[(2-methylpiperidin-2-yl)methyl]butan-1-amine.
What is the SMILES notation for N-[(2-methylpiperidin-2-yl)methyl]butan-1-amine?
The canonical SMILES for N-[(2-methylpiperidin-2-yl)methyl]butan-1-amine is CCCCNCC1(C)CCCCN1.
What is the InChIKey of N-[(2-methylpiperidin-2-yl)methyl]butan-1-amine?
The InChIKey is GRXFDEVACWQMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-3-4-8-12-10-11(2)7-5-6-9-13-11/h12-13H,3-10H2,1-2H3.
What are the key properties of N-[(2-methylpiperidin-2-yl)methyl]butan-1-amine?
N-[(2-methylpiperidin-2-yl)methyl]butan-1-amine has a molecular weight of 184.33 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpiperidin-2-yl)methyl]butan-1-amine is sourced from PubChem (CID 104594837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).