N-tert-butyl-2-[(3-ethylpiperidin-1-yl)methyl]prop-2-en-1-amine

C15H30N2 — CID 103069411

IUPACN-tert-butyl-2-[(3-ethylpiperidin-1-yl)methyl]prop-2-en-1-amine
SMILESC=C(CNC(C)(C)C)CN1CCCC(CC)C1
InChIInChI=1S/C15H30N2/c1-6-14-8-7-9-17(12-14)11-13(2)10-16-15(3,4)5/h14,16H,2,6-12H2,1,3-5H3
InChIKeyPTCAOBLUEPNWMX-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.05
Rot. Bonds5

About N-tert-butyl-2-[(3-ethylpiperidin-1-yl)methyl]prop-2-en-1-amine

N-tert-butyl-2-[(3-ethylpiperidin-1-yl)methyl]prop-2-en-1-amine (PubChem CID 103069411) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is N-tert-butyl-2-[(3-ethylpiperidin-1-yl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-[(3-ethylpiperidin-1-yl)methyl]prop-2-en-1-amine
PubChem CID103069411
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC NameN-tert-butyl-2-[(3-ethylpiperidin-1-yl)methyl]prop-2-en-1-amine
SMILESC=C(CNC(C)(C)C)CN1CCCC(CC)C1
InChIInChI=1S/C15H30N2/c1-6-14-8-7-9-17(12-14)11-13(2)10-16-15(3,4)5/h14,16H,2,6-12H2,1,3-5H3
InChIKeyPTCAOBLUEPNWMX-UHFFFAOYSA-N
XLogP3.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-2-[(3-ethylpyrrolidin-1-yl)methyl]prop-2-en-1-amine
CID 103071243
N-tert-butyl-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]prop-2-en-1-amine
CID 103070541
N-[3-(3-ethylpiperidin-1-yl)propyl]-2-methylpropan-2-amine
CID 60851535
1-[2-[(tert-butylamino)methyl]prop-2-enyl]-5-ethylazepan-2-one
CID 103072519
N-tert-butyl-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]prop-2-en-1-amine
CID 103071485
2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N-propylprop-2-en-1-amine
CID 106588399
N-[[1-(2-methylidenebutyl)piperidin-3-yl]methyl]propan-2-amine
CID 66043827
1-[2-[(tert-butylamino)methyl]prop-2-enyl]-4-methylazepan-4-ol
CID 107407652
1-(3-ethylpiperidin-1-yl)-2-methylbutan-2-ol
CID 114495376
N-[[2-[(3-ethylpiperidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 62432875
2-[3-[(tert-butylamino)methyl]piperidin-1-yl]-N-ethyl-N-methylacetamide
CID 63848310
N-[[6-[(3-ethylpiperidin-1-yl)methyl]-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 106905911

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(3-ethylpiperidin-1-yl)methyl]prop-2-en-1-amine?
The IUPAC name of N-tert-butyl-2-[(3-ethylpiperidin-1-yl)methyl]prop-2-en-1-amine (CID 103069411) is N-tert-butyl-2-[(3-ethylpiperidin-1-yl)methyl]prop-2-en-1-amine.
What is the SMILES notation for N-tert-butyl-2-[(3-ethylpiperidin-1-yl)methyl]prop-2-en-1-amine?
The canonical SMILES for N-tert-butyl-2-[(3-ethylpiperidin-1-yl)methyl]prop-2-en-1-amine is C=C(CNC(C)(C)C)CN1CCCC(CC)C1.
What is the InChIKey of N-tert-butyl-2-[(3-ethylpiperidin-1-yl)methyl]prop-2-en-1-amine?
The InChIKey is PTCAOBLUEPNWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-6-14-8-7-9-17(12-14)11-13(2)10-16-15(3,4)5/h14,16H,2,6-12H2,1,3-5H3.
What are the key properties of N-tert-butyl-2-[(3-ethylpiperidin-1-yl)methyl]prop-2-en-1-amine?
N-tert-butyl-2-[(3-ethylpiperidin-1-yl)methyl]prop-2-en-1-amine has a molecular weight of 238.42 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(3-ethylpiperidin-1-yl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 103069411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).