2-(3-azaspiro[5.5]undecan-3-ylmethyl)-N-propan-2-ylprop-2-en-1-amine

C17H32N2 — CID 103070395

IUPAC2-(3-azaspiro[5.5]undecan-3-ylmethyl)-N-propan-2-ylprop-2-en-1-amine
SMILESC=C(CNC(C)C)CN1CCC2(CCCCC2)CC1
InChIInChI=1S/C17H32N2/c1-15(2)18-13-16(3)14-19-11-9-17(10-12-19)7-5-4-6-8-17/h15,18H,3-14H2,1-2H3
InChIKeySWAZVVUZZOBDQC-UHFFFAOYSA-N
MW264.46 g/mol
LogP3.59
Rot. Bonds5

About 2-(3-azaspiro[5.5]undecan-3-ylmethyl)-N-propan-2-ylprop-2-en-1-amine

2-(3-azaspiro[5.5]undecan-3-ylmethyl)-N-propan-2-ylprop-2-en-1-amine (PubChem CID 103070395) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is 2-(3-azaspiro[5.5]undecan-3-ylmethyl)-N-propan-2-ylprop-2-en-1-amine.

Molecular Properties

Compound Name2-(3-azaspiro[5.5]undecan-3-ylmethyl)-N-propan-2-ylprop-2-en-1-amine
PubChem CID103070395
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC Name2-(3-azaspiro[5.5]undecan-3-ylmethyl)-N-propan-2-ylprop-2-en-1-amine
SMILESC=C(CNC(C)C)CN1CCC2(CCCCC2)CC1
InChIInChI=1S/C17H32N2/c1-15(2)18-13-16(3)14-19-11-9-17(10-12-19)7-5-4-6-8-17/h15,18H,3-14H2,1-2H3
InChIKeySWAZVVUZZOBDQC-UHFFFAOYSA-N
XLogP3.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 53.59
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

2-(azepan-1-ylmethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103068857
2-[(4-methylpiperazin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine
CID 103068829
2-(morpholin-4-ylmethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103068808
[1-[2-[(propan-2-ylamino)methyl]prop-2-enyl]piperidin-4-yl]methanol
CID 103069109
2-[(4-methoxypiperidin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine
CID 103069327
2-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-N-propan-2-ylprop-2-en-1-amine
CID 103070382
2-[[4-(methoxymethyl)piperidin-1-yl]methyl]-N-propan-2-ylprop-2-en-1-amine
CID 103070719
3-(8-azaspiro[4.5]decan-8-yl)-N-propan-2-ylprop-1-en-2-amine;ethane;2-methylpentane
CID 170569656
3-[2-[(propan-2-ylamino)methyl]prop-2-enyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 103071664
potassium 3-(3-azaspiro[5.5]undecan-3-yl)prop-1-en-2-yl-trifluoroboranuide
CID 106746003
1-(3-azaspiro[5.5]undecan-3-yl)-N-ethylpropan-2-amine
CID 55156311
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103070890

Frequently Asked Questions

What is the IUPAC name of 2-(3-azaspiro[5.5]undecan-3-ylmethyl)-N-propan-2-ylprop-2-en-1-amine?
The IUPAC name of 2-(3-azaspiro[5.5]undecan-3-ylmethyl)-N-propan-2-ylprop-2-en-1-amine (CID 103070395) is 2-(3-azaspiro[5.5]undecan-3-ylmethyl)-N-propan-2-ylprop-2-en-1-amine.
What is the SMILES notation for 2-(3-azaspiro[5.5]undecan-3-ylmethyl)-N-propan-2-ylprop-2-en-1-amine?
The canonical SMILES for 2-(3-azaspiro[5.5]undecan-3-ylmethyl)-N-propan-2-ylprop-2-en-1-amine is C=C(CNC(C)C)CN1CCC2(CCCCC2)CC1.
What is the InChIKey of 2-(3-azaspiro[5.5]undecan-3-ylmethyl)-N-propan-2-ylprop-2-en-1-amine?
The InChIKey is SWAZVVUZZOBDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c1-15(2)18-13-16(3)14-19-11-9-17(10-12-19)7-5-4-6-8-17/h15,18H,3-14H2,1-2H3.
What are the key properties of 2-(3-azaspiro[5.5]undecan-3-ylmethyl)-N-propan-2-ylprop-2-en-1-amine?
2-(3-azaspiro[5.5]undecan-3-ylmethyl)-N-propan-2-ylprop-2-en-1-amine has a molecular weight of 264.46 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azaspiro[5.5]undecan-3-ylmethyl)-N-propan-2-ylprop-2-en-1-amine is sourced from PubChem (CID 103070395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).