4-[2-[(dimethylamino)methyl]piperidin-1-yl]-N-methylbutan-1-amine

C13H29N3 — CID 19846007

IUPAC4-[2-[(dimethylamino)methyl]piperidin-1-yl]-N-methylbutan-1-amine
SMILESCNCCCCN1CCCCC1CN(C)C
InChIInChI=1S/C13H29N3/c1-14-9-5-7-11-16-10-6-4-8-13(16)12-15(2)3/h13-14H,4-12H2,1-3H3
InChIKeyVWGAJURXTMJRSV-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.40
Rot. Bonds7

About 4-[2-[(dimethylamino)methyl]piperidin-1-yl]-N-methylbutan-1-amine

4-[2-[(dimethylamino)methyl]piperidin-1-yl]-N-methylbutan-1-amine (PubChem CID 19846007) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is 4-[2-[(dimethylamino)methyl]piperidin-1-yl]-N-methylbutan-1-amine.

Molecular Properties

Compound Name4-[2-[(dimethylamino)methyl]piperidin-1-yl]-N-methylbutan-1-amine
PubChem CID19846007
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name4-[2-[(dimethylamino)methyl]piperidin-1-yl]-N-methylbutan-1-amine
SMILESCNCCCCN1CCCCC1CN(C)C
InChIInChI=1S/C13H29N3/c1-14-9-5-7-11-16-10-6-4-8-13(16)12-15(2)3/h13-14H,4-12H2,1-3H3
InChIKeyVWGAJURXTMJRSV-UHFFFAOYSA-N
XLogP1.40
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(2-ethylpyrrolidin-1-yl)-N-methylpentan-1-amine
CID 62438607
N-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethyl]cyclopropanamine
CID 62886265
N-methyl-4-(1-methylpiperidin-2-yl)butan-1-amine
CID 121221917
4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylbutan-2-amine
CID 62886637
5-(2-cyclopentylpyrrolidin-1-yl)-N-methylpentan-1-amine
CID 55073555
N-[2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethyl]-4-ethoxybutan-1-amine
CID 62887865
N-ethyl-4-(2-ethylazepan-1-yl)butan-1-amine
CID 104692289
1-[1-[3-(dimethylamino)propyl]azepan-2-yl]propan-2-one
CID 114525397
N-methyl-3-(1-methylpiperidin-2-yl)propan-1-amine
CID 70383775
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methylpropan-2-amine
CID 62886469
2-[2-[(dimethylamino)methyl]piperidin-1-yl]acetamide
CID 14209997
4-[2-(diethylaminomethyl)piperidin-1-yl]butan-1-amine
CID 19845936

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(dimethylamino)methyl]piperidin-1-yl]-N-methylbutan-1-amine?
The IUPAC name of 4-[2-[(dimethylamino)methyl]piperidin-1-yl]-N-methylbutan-1-amine (CID 19846007) is 4-[2-[(dimethylamino)methyl]piperidin-1-yl]-N-methylbutan-1-amine.
What is the SMILES notation for 4-[2-[(dimethylamino)methyl]piperidin-1-yl]-N-methylbutan-1-amine?
The canonical SMILES for 4-[2-[(dimethylamino)methyl]piperidin-1-yl]-N-methylbutan-1-amine is CNCCCCN1CCCCC1CN(C)C.
What is the InChIKey of 4-[2-[(dimethylamino)methyl]piperidin-1-yl]-N-methylbutan-1-amine?
The InChIKey is VWGAJURXTMJRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-14-9-5-7-11-16-10-6-4-8-13(16)12-15(2)3/h13-14H,4-12H2,1-3H3.
What are the key properties of 4-[2-[(dimethylamino)methyl]piperidin-1-yl]-N-methylbutan-1-amine?
4-[2-[(dimethylamino)methyl]piperidin-1-yl]-N-methylbutan-1-amine has a molecular weight of 227.40 g/mol, XLogP of 1.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(dimethylamino)methyl]piperidin-1-yl]-N-methylbutan-1-amine is sourced from PubChem (CID 19846007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).