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

C16H31N3 — CID 103070541

IUPACN-tert-butyl-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]prop-2-en-1-amine
SMILESC=C(CNC(C)(C)C)CN1CCC(N2CCCC2)C1
InChIInChI=1S/C16H31N3/c1-14(11-17-16(2,3)4)12-18-10-7-15(13-18)19-8-5-6-9-19/h15,17H,1,5-13H2,2-4H3
InChIKeyLPPQCQCWIARRAY-UHFFFAOYSA-N
MW265.44 g/mol
LogP2.10
Rot. Bonds5

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

N-tert-butyl-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]prop-2-en-1-amine (PubChem CID 103070541) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is N-tert-butyl-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]prop-2-en-1-amine
PubChem CID103070541
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC NameN-tert-butyl-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]prop-2-en-1-amine
SMILESC=C(CNC(C)(C)C)CN1CCC(N2CCCC2)C1
InChIInChI=1S/C16H31N3/c1-14(11-17-16(2,3)4)12-18-10-7-15(13-18)19-8-5-6-9-19/h15,17H,1,5-13H2,2-4H3
InChIKeyLPPQCQCWIARRAY-UHFFFAOYSA-N
XLogP2.10
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-ethylpiperidin-1-yl)methyl]prop-2-en-1-amine
CID 103069411
N-tert-butyl-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]prop-2-en-1-amine
CID 103071485
N-tert-butyl-2,2-dimethyl-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-amine
CID 63168780
N-methyl-2-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]prop-2-en-1-amine
CID 103070551
1-[2-[(tert-butylamino)methyl]prop-2-enyl]-4-methylazepan-4-ol
CID 107407652
2-(ethylamino)-2-methyl-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-ol
CID 64791863
2-(2-methylprop-2-enyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 115674890
2-methyl-N-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]propan-2-amine
CID 61387313
N-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-2-methylpropan-2-amine
CID 79931860
2-methyl-2-(propylamino)-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-ol
CID 64789657
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-tert-butyl-2,2-dimethylpropan-1-amine
CID 79924588

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]prop-2-en-1-amine?
The IUPAC name of N-tert-butyl-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]prop-2-en-1-amine (CID 103070541) is N-tert-butyl-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]prop-2-en-1-amine.
What is the SMILES notation for N-tert-butyl-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]prop-2-en-1-amine?
The canonical SMILES for N-tert-butyl-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]prop-2-en-1-amine is C=C(CNC(C)(C)C)CN1CCC(N2CCCC2)C1.
What is the InChIKey of N-tert-butyl-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]prop-2-en-1-amine?
The InChIKey is LPPQCQCWIARRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-14(11-17-16(2,3)4)12-18-10-7-15(13-18)19-8-5-6-9-19/h15,17H,1,5-13H2,2-4H3.
What are the key properties of N-tert-butyl-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]prop-2-en-1-amine?
N-tert-butyl-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]prop-2-en-1-amine has a molecular weight of 265.44 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]prop-2-en-1-amine is sourced from PubChem (CID 103070541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).