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

C15H32N2 — CID 104594932

IUPACN-[(2-methylpiperidin-2-yl)methyl]-N-propan-2-ylpentan-1-amine
SMILESCCCCCN(CC1(C)CCCCN1)C(C)C
InChIInChI=1S/C15H32N2/c1-5-6-9-12-17(14(2)3)13-15(4)10-7-8-11-16-15/h14,16H,5-13H2,1-4H3
InChIKeyBYEBNHXIJPKAGS-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.42
Rot. Bonds7

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

N-[(2-methylpiperidin-2-yl)methyl]-N-propan-2-ylpentan-1-amine (PubChem CID 104594932) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is N-[(2-methylpiperidin-2-yl)methyl]-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound NameN-[(2-methylpiperidin-2-yl)methyl]-N-propan-2-ylpentan-1-amine
PubChem CID104594932
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC NameN-[(2-methylpiperidin-2-yl)methyl]-N-propan-2-ylpentan-1-amine
SMILESCCCCCN(CC1(C)CCCCN1)C(C)C
InChIInChI=1S/C15H32N2/c1-5-6-9-12-17(14(2)3)13-15(4)10-7-8-11-16-15/h14,16H,5-13H2,1-4H3
InChIKeyBYEBNHXIJPKAGS-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
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-butyl-N-[(2-methylpiperidin-2-yl)methyl]butan-1-amine
CID 113430567
N-[(2-methylpiperidin-2-yl)methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 104594957
N-methyl-N-[(2-methylpiperidin-2-yl)methyl]propan-2-amine
CID 104594706
N-methyl-N-[(2-methylpiperidin-2-yl)methyl]-1-methylsulfanylpropan-2-amine
CID 104595249
N-propan-2-yl-N-[(3-propan-2-ylpyrrolidin-3-yl)methyl]pentan-1-amine
CID 106981800
N-[(2-methylpiperidin-2-yl)methyl]-N-(thiophen-2-ylmethyl)propan-2-amine
CID 104594909
N-[[1-(bromomethyl)cyclopropyl]methyl]-N-propan-2-ylpentan-1-amine
CID 65013731
N-ethyl-2-methyl-N-[(2-methylpiperidin-2-yl)methyl]butan-1-amine
CID 104595168
N,N-dimethyl-N'-[(2-methylpiperidin-2-yl)methyl]-N'-propylethane-1,2-diamine
CID 104594977
N,N,N'-trimethyl-N'-[(2-methylpiperidin-2-yl)methyl]ethane-1,2-diamine
CID 104595090
N-dodecyl-N-propan-2-yltetradecan-1-amine
CID 87516029
2-pentyl-2-propan-2-ylazepane
CID 79119110

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpiperidin-2-yl)methyl]-N-propan-2-ylpentan-1-amine?
The IUPAC name of N-[(2-methylpiperidin-2-yl)methyl]-N-propan-2-ylpentan-1-amine (CID 104594932) is N-[(2-methylpiperidin-2-yl)methyl]-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for N-[(2-methylpiperidin-2-yl)methyl]-N-propan-2-ylpentan-1-amine?
The canonical SMILES for N-[(2-methylpiperidin-2-yl)methyl]-N-propan-2-ylpentan-1-amine is CCCCCN(CC1(C)CCCCN1)C(C)C.
What is the InChIKey of N-[(2-methylpiperidin-2-yl)methyl]-N-propan-2-ylpentan-1-amine?
The InChIKey is BYEBNHXIJPKAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-5-6-9-12-17(14(2)3)13-15(4)10-7-8-11-16-15/h14,16H,5-13H2,1-4H3.
What are the key properties of N-[(2-methylpiperidin-2-yl)methyl]-N-propan-2-ylpentan-1-amine?
N-[(2-methylpiperidin-2-yl)methyl]-N-propan-2-ylpentan-1-amine has a molecular weight of 240.43 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpiperidin-2-yl)methyl]-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 104594932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).