4,4-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]pentan-1-amine

C16H34N2 — CID 114209368

IUPAC4,4-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]pentan-1-amine
SMILESCC1CCCCN1CCCNCCCC(C)(C)C
InChIInChI=1S/C16H34N2/c1-15-9-5-6-13-18(15)14-8-12-17-11-7-10-16(2,3)4/h15,17H,5-14H2,1-4H3
InChIKeyXNTNEIVOGXFBBQ-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.67
Rot. Bonds7

About 4,4-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]pentan-1-amine

4,4-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]pentan-1-amine (PubChem CID 114209368) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 4,4-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]pentan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]pentan-1-amine
PubChem CID114209368
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name4,4-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]pentan-1-amine
SMILESCC1CCCCN1CCCNCCCC(C)(C)C
InChIInChI=1S/C16H34N2/c1-15-9-5-6-13-18(15)14-8-12-17-11-7-10-16(2,3)4/h15,17H,5-14H2,1-4H3
InChIKeyXNTNEIVOGXFBBQ-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.67
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

3-(2-methylpiperidin-1-yl)-N-propylpropan-1-amine
CID 43193223
3-(2-methylpiperidin-1-yl)-N-(3-methylsulfanylpropyl)propan-1-amine
CID 43180624
N'-[3-(2-methylpyrrolidin-1-yl)propyl]-N-(3-pyrrolidin-1-ylpropyl)ethane-1,2-diamine
CID 143268112
3-(2-methylpiperidin-1-yl)-N-(3-methylsulfonylpropyl)propan-1-amine
CID 63190466
tert-butyl N-[3-[3-(2-methylpiperidin-1-yl)propylamino]propyl]carbamate
CID 103821611
3-(2-methylpiperidin-1-yl)-N-(2-propan-2-yloxyethyl)propan-1-amine
CID 60696099
3-[(2R)-2-methylpiperidin-1-yl]-N-[[4-[[3-[(2R)-2-methylpiperidin-1-yl]propylamino]methyl]phenyl]methyl]propan-1-amine
CID 71451639
3-[(2S)-2-methylpiperidin-1-yl]-N-[[4-[[3-[(2S)-2-methylpiperidin-1-yl]propylamino]methyl]phenyl]methyl]propan-1-amine
CID 71455186
methyl 3-[3-(2-methylpiperidin-1-yl)propylamino]propanoate
CID 43174199
3-(2-methylpiperidin-1-yl)-N-(2-propan-2-ylsulfonylethyl)propan-1-amine
CID 106723029
N-[2-(3-methoxypropoxy)ethyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 103178390
N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexanamine
CID 43178283

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]pentan-1-amine?
The IUPAC name of 4,4-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]pentan-1-amine (CID 114209368) is 4,4-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]pentan-1-amine.
What is the SMILES notation for 4,4-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]pentan-1-amine?
The canonical SMILES for 4,4-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]pentan-1-amine is CC1CCCCN1CCCNCCCC(C)(C)C.
What is the InChIKey of 4,4-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]pentan-1-amine?
The InChIKey is XNTNEIVOGXFBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-15-9-5-6-13-18(15)14-8-12-17-11-7-10-16(2,3)4/h15,17H,5-14H2,1-4H3.
What are the key properties of 4,4-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]pentan-1-amine?
4,4-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]pentan-1-amine has a molecular weight of 254.46 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]pentan-1-amine is sourced from PubChem (CID 114209368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).