N-[(4-methylpiperidin-2-yl)methyl]-N-propan-2-ylpentan-1-amine

C15H32N2 — CID 114421378

IUPACN-[(4-methylpiperidin-2-yl)methyl]-N-propan-2-ylpentan-1-amine
SMILESCCCCCN(CC1CC(C)CCN1)C(C)C
InChIInChI=1S/C15H32N2/c1-5-6-7-10-17(13(2)3)12-15-11-14(4)8-9-16-15/h13-16H,5-12H2,1-4H3
InChIKeyBDNOBTZRNNZMKY-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.28
Rot. Bonds7

About N-[(4-methylpiperidin-2-yl)methyl]-N-propan-2-ylpentan-1-amine

N-[(4-methylpiperidin-2-yl)methyl]-N-propan-2-ylpentan-1-amine (PubChem CID 114421378) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is N-[(4-methylpiperidin-2-yl)methyl]-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound NameN-[(4-methylpiperidin-2-yl)methyl]-N-propan-2-ylpentan-1-amine
PubChem CID114421378
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC NameN-[(4-methylpiperidin-2-yl)methyl]-N-propan-2-ylpentan-1-amine
SMILESCCCCCN(CC1CC(C)CCN1)C(C)C
InChIInChI=1S/C15H32N2/c1-5-6-7-10-17(13(2)3)12-15-11-14(4)8-9-16-15/h13-16H,5-12H2,1-4H3
InChIKeyBDNOBTZRNNZMKY-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.28
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

N-[(4-methylpiperidin-2-yl)methyl]-N-propan-2-ylpropan-1-amine
CID 114421199
1-cyclopropyl-N-(2-methoxyethyl)-N-[(4-methylpiperidin-2-yl)methyl]ethanamine
CID 114421390
N-dodecyl-N-propan-2-yltetradecan-1-amine
CID 87516029
4-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]butan-1-ol
CID 106614415
N-[(4-methylpyrrolidin-3-yl)methyl]-N-propan-2-ylpentan-1-amine
CID 63716197
6-[piperidin-2-ylmethyl(propan-2-yl)amino]hexan-1-ol
CID 107705711
N-(cyclopropylmethyl)-N-propan-2-ylbutan-1-amine
CID 170060972
ethane;2-ethyl-4-methylpiperidine
CID 142379207
N-(1-cyclopentylethyl)-N-(pyrrolidin-2-ylmethyl)butan-1-amine
CID 106604972
N-(azepan-2-ylmethyl)-N-butan-2-ylbutan-1-amine
CID 64570168
4-methyl-N-propan-2-yl-N-propylpiperidine-2-carboxamide
CID 114422783
N-propan-2-yl-N-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-ylmethyl)pentan-1-amine
CID 79354436

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylpiperidin-2-yl)methyl]-N-propan-2-ylpentan-1-amine?
The IUPAC name of N-[(4-methylpiperidin-2-yl)methyl]-N-propan-2-ylpentan-1-amine (CID 114421378) is N-[(4-methylpiperidin-2-yl)methyl]-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for N-[(4-methylpiperidin-2-yl)methyl]-N-propan-2-ylpentan-1-amine?
The canonical SMILES for N-[(4-methylpiperidin-2-yl)methyl]-N-propan-2-ylpentan-1-amine is CCCCCN(CC1CC(C)CCN1)C(C)C.
What is the InChIKey of N-[(4-methylpiperidin-2-yl)methyl]-N-propan-2-ylpentan-1-amine?
The InChIKey is BDNOBTZRNNZMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-5-6-7-10-17(13(2)3)12-15-11-14(4)8-9-16-15/h13-16H,5-12H2,1-4H3.
What are the key properties of N-[(4-methylpiperidin-2-yl)methyl]-N-propan-2-ylpentan-1-amine?
N-[(4-methylpiperidin-2-yl)methyl]-N-propan-2-ylpentan-1-amine has a molecular weight of 240.43 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylpiperidin-2-yl)methyl]-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 114421378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).