N-[[1-(2-ethylhexyl)piperidin-4-yl]methyl]-2-methylpropan-2-amine

C18H38N2 — CID 62592756

IUPACN-[[1-(2-ethylhexyl)piperidin-4-yl]methyl]-2-methylpropan-2-amine
SMILESCCCCC(CC)CN1CCC(CNC(C)(C)C)CC1
InChIInChI=1S/C18H38N2/c1-6-8-9-16(7-2)15-20-12-10-17(11-13-20)14-19-18(3,4)5/h16-17,19H,6-15H2,1-5H3
InChIKeyRWTZTLSLGYZFBP-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.30
Rot. Bonds8

About N-[[1-(2-ethylhexyl)piperidin-4-yl]methyl]-2-methylpropan-2-amine

N-[[1-(2-ethylhexyl)piperidin-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62592756) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is N-[[1-(2-ethylhexyl)piperidin-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-ethylhexyl)piperidin-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID62592756
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC NameN-[[1-(2-ethylhexyl)piperidin-4-yl]methyl]-2-methylpropan-2-amine
SMILESCCCCC(CC)CN1CCC(CNC(C)(C)C)CC1
InChIInChI=1S/C18H38N2/c1-6-8-9-16(7-2)15-20-12-10-17(11-13-20)14-19-18(3,4)5/h16-17,19H,6-15H2,1-5H3
InChIKeyRWTZTLSLGYZFBP-UHFFFAOYSA-N
XLogP4.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-butylpyrrolidin-3-yl)methyl]-2-methylpropan-2-amine
CID 62512541
2-methyl-N-[(1-pentylpiperidin-4-yl)methyl]propan-2-amine
CID 62592225
1-(2-ethylhexyl)-4,6-dimethyl-1,5-diazocane
CID 107817900
4-bromo-1-(2-ethylhexyl)piperidine
CID 80678889
2-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 62513718
2-[1-(2-ethylhexyl)pyrrolidin-3-yl]ethanol
CID 104627914
4-(1-chloroethyl)-1-(2-ethylhexyl)piperidine
CID 106837967
N-ethyl-1-(2-ethylhexyl)pyrrolidin-3-amine
CID 107815392
4-(5-hexylundecyl)-1-(2-propylhexyl)piperidine
CID 166733134
4-(2-chloroethoxy)-1-(2-ethylhexyl)piperidine
CID 82701804
1-butoxy-3-[3-[(tert-butylamino)methyl]piperidin-1-yl]propan-2-ol
CID 107264399
1-(2-ethylhexyl)-N,3-dimethylpiperidin-4-amine
CID 114499149

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-ethylhexyl)piperidin-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-(2-ethylhexyl)piperidin-4-yl]methyl]-2-methylpropan-2-amine (CID 62592756) is N-[[1-(2-ethylhexyl)piperidin-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-(2-ethylhexyl)piperidin-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-(2-ethylhexyl)piperidin-4-yl]methyl]-2-methylpropan-2-amine is CCCCC(CC)CN1CCC(CNC(C)(C)C)CC1.
What is the InChIKey of N-[[1-(2-ethylhexyl)piperidin-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is RWTZTLSLGYZFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-6-8-9-16(7-2)15-20-12-10-17(11-13-20)14-19-18(3,4)5/h16-17,19H,6-15H2,1-5H3.
What are the key properties of N-[[1-(2-ethylhexyl)piperidin-4-yl]methyl]-2-methylpropan-2-amine?
N-[[1-(2-ethylhexyl)piperidin-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 282.52 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-ethylhexyl)piperidin-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62592756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).