2,3-dimethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]butan-1-amine

C14H30N2 — CID 64570931

IUPAC2,3-dimethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]butan-1-amine
SMILESCC(C)C(C)CNCCC1CCCCN1C
InChIInChI=1S/C14H30N2/c1-12(2)13(3)11-15-9-8-14-7-5-6-10-16(14)4/h12-15H,5-11H2,1-4H3
InChIKeyIRQIITRVOJQRQH-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.74
Rot. Bonds6

About 2,3-dimethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]butan-1-amine

2,3-dimethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]butan-1-amine (PubChem CID 64570931) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 2,3-dimethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]butan-1-amine.

Molecular Properties

Compound Name2,3-dimethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]butan-1-amine
PubChem CID64570931
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name2,3-dimethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]butan-1-amine
SMILESCC(C)C(C)CNCCC1CCCCN1C
InChIInChI=1S/C14H30N2/c1-12(2)13(3)11-15-9-8-14-7-5-6-10-16(14)4/h12-15H,5-11H2,1-4H3
InChIKeyIRQIITRVOJQRQH-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.74
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

2-chloro-3-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]butan-1-amine
CID 107913930
2,3-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]butan-1-amine
CID 64570270
N-[2-(1-methylpiperidin-2-yl)ethyl]-2-piperidin-1-ylpropan-1-amine
CID 55067071
N-ethyl-2-(1-methylpiperidin-2-yl)ethanamine
CID 60685781
4-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]pentan-1-amine
CID 62414508
2-(1-methylpiperidin-2-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 104760185
7-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]octan-1-amine
CID 103604979
3-bromo-N-[2-(1-methylpiperidin-2-yl)ethyl]propan-1-amine
CID 107913859
2-(1-methylpiperidin-2-yl)-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 55067022
4-iodo-N-[2-(1-methylpiperidin-2-yl)ethyl]butan-1-amine
CID 107914068
3-chloro-N-[2-(1-methylpiperidin-2-yl)ethyl]pentan-1-amine
CID 107913946
N'-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]-N'-propan-2-ylbutane-1,4-diamine
CID 62414712

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]butan-1-amine?
The IUPAC name of 2,3-dimethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]butan-1-amine (CID 64570931) is 2,3-dimethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]butan-1-amine.
What is the SMILES notation for 2,3-dimethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]butan-1-amine?
The canonical SMILES for 2,3-dimethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]butan-1-amine is CC(C)C(C)CNCCC1CCCCN1C.
What is the InChIKey of 2,3-dimethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]butan-1-amine?
The InChIKey is IRQIITRVOJQRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-12(2)13(3)11-15-9-8-14-7-5-6-10-16(14)4/h12-15H,5-11H2,1-4H3.
What are the key properties of 2,3-dimethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]butan-1-amine?
2,3-dimethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]butan-1-amine has a molecular weight of 226.41 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[2-(1-methylpiperidin-2-yl)ethyl]butan-1-amine is sourced from PubChem (CID 64570931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).