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

C14H28N2 — CID 103071243

IUPACN-tert-butyl-2-[(3-ethylpyrrolidin-1-yl)methyl]prop-2-en-1-amine
SMILESC=C(CNC(C)(C)C)CN1CCC(CC)C1
InChIInChI=1S/C14H28N2/c1-6-13-7-8-16(11-13)10-12(2)9-15-14(3,4)5/h13,15H,2,6-11H2,1,3-5H3
InChIKeyAXKYRQNXRYSKKF-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.66
Rot. Bonds5

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

N-tert-butyl-2-[(3-ethylpyrrolidin-1-yl)methyl]prop-2-en-1-amine (PubChem CID 103071243) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N-tert-butyl-2-[(3-ethylpyrrolidin-1-yl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-[(3-ethylpyrrolidin-1-yl)methyl]prop-2-en-1-amine
PubChem CID103071243
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN-tert-butyl-2-[(3-ethylpyrrolidin-1-yl)methyl]prop-2-en-1-amine
SMILESC=C(CNC(C)(C)C)CN1CCC(CC)C1
InChIInChI=1S/C14H28N2/c1-6-13-7-8-16(11-13)10-12(2)9-15-14(3,4)5/h13,15H,2,6-11H2,1,3-5H3
InChIKeyAXKYRQNXRYSKKF-UHFFFAOYSA-N
XLogP2.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(3-ethylpyrrolidin-1-yl)methyl]prop-2-en-1-amine?
The IUPAC name of N-tert-butyl-2-[(3-ethylpyrrolidin-1-yl)methyl]prop-2-en-1-amine (CID 103071243) is N-tert-butyl-2-[(3-ethylpyrrolidin-1-yl)methyl]prop-2-en-1-amine.
What is the SMILES notation for N-tert-butyl-2-[(3-ethylpyrrolidin-1-yl)methyl]prop-2-en-1-amine?
The canonical SMILES for N-tert-butyl-2-[(3-ethylpyrrolidin-1-yl)methyl]prop-2-en-1-amine is C=C(CNC(C)(C)C)CN1CCC(CC)C1.
What is the InChIKey of N-tert-butyl-2-[(3-ethylpyrrolidin-1-yl)methyl]prop-2-en-1-amine?
The InChIKey is AXKYRQNXRYSKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-6-13-7-8-16(11-13)10-12(2)9-15-14(3,4)5/h13,15H,2,6-11H2,1,3-5H3.
What are the key properties of N-tert-butyl-2-[(3-ethylpyrrolidin-1-yl)methyl]prop-2-en-1-amine?
N-tert-butyl-2-[(3-ethylpyrrolidin-1-yl)methyl]prop-2-en-1-amine has a molecular weight of 224.39 g/mol, XLogP of 2.66, 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-ethylpyrrolidin-1-yl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 103071243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).