3-(8-azaspiro[4.5]decan-8-yl)-N-propan-2-ylprop-1-en-2-amine;ethane;2-methylpentane

C23H48N2 — CID 170569656

IUPAC3-(8-azaspiro[4.5]decan-8-yl)-N-propan-2-ylprop-1-en-2-amine;ethane;2-methylpentane
SMILESC=C(CN1CCC2(CCCC2)CC1)NC(C)C.CC.CCCC(C)C
InChIInChI=1S/C15H28N2.C6H14.C2H6/c1-13(2)16-14(3)12-17-10-8-15(9-11-17)6-4-5-7-15;1-4-5-6(2)3;1-2/h13,16H,3-12H2,1-2H3;6H,4-5H2,1-3H3;1-2H3
InChIKeyMDYFDLSDTNHUJW-UHFFFAOYSA-N
MW352.65 g/mol
LogP6.62
Rot. Bonds6

About 3-(8-azaspiro[4.5]decan-8-yl)-N-propan-2-ylprop-1-en-2-amine;ethane;2-methylpentane

3-(8-azaspiro[4.5]decan-8-yl)-N-propan-2-ylprop-1-en-2-amine;ethane;2-methylpentane (PubChem CID 170569656) has the molecular formula C23H48N2 and a molecular weight of 352.65 g/mol. Its IUPAC name is 3-(8-azaspiro[4.5]decan-8-yl)-N-propan-2-ylprop-1-en-2-amine;ethane;2-methylpentane.

Molecular Properties

Compound Name3-(8-azaspiro[4.5]decan-8-yl)-N-propan-2-ylprop-1-en-2-amine;ethane;2-methylpentane
PubChem CID170569656
Molecular FormulaC23H48N2
Molecular Weight352.65 g/mol
Exact Mass352.38
IUPAC Name3-(8-azaspiro[4.5]decan-8-yl)-N-propan-2-ylprop-1-en-2-amine;ethane;2-methylpentane
SMILESC=C(CN1CCC2(CCCC2)CC1)NC(C)C.CC.CCCC(C)C
InChIInChI=1S/C15H28N2.C6H14.C2H6/c1-13(2)16-14(3)12-17-10-8-15(9-11-17)6-4-5-7-15;1-4-5-6(2)3;1-2/h13,16H,3-12H2,1-2H3;6H,4-5H2,1-3H3;1-2H3
InChIKeyMDYFDLSDTNHUJW-UHFFFAOYSA-N
XLogP6.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.65
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(8-azaspiro[4.5]decan-8-yl)-N-propan-2-ylprop-1-en-2-amine;ethane;2-methylpentane with MolForge

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Related Compounds

2-(3-azaspiro[5.5]undecan-3-ylmethyl)-N-propan-2-ylprop-2-en-1-amine
CID 103070395
1-(8-azaspiro[4.5]decan-8-yl)pentan-2-ol
CID 63158943
3-[3,3-difluoro-4-(5-methylhexyl)piperidin-1-yl]-N-propan-2-ylprop-1-en-2-amine
CID 170569488
1-(8-azaspiro[4.5]decan-8-yl)pentan-2-amine
CID 63160786
ethane;2-methylhexane;3-pyrrolidin-1-ylprop-1-en-2-amine
CID 170569168
1-(3-azaspiro[5.5]undecan-3-yl)pentan-2-amine
CID 62938096
1-(8-azaspiro[4.5]decan-8-yl)-N-propylpentan-2-amine
CID 63469319
1-(8-azaspiro[4.5]decan-8-yl)propan-2-one
CID 63158473
2-(8-azaspiro[4.5]decan-8-ylmethyl)pentan-1-amine
CID 65233266
ethane;7-propyl-7-azaspiro[3.5]nonane
CID 176563590
N-propan-2-yl-3-[4-(3-propan-2-yloxypropyl)piperidin-1-yl]prop-1-en-2-amine
CID 170569679
potassium 3-(3-azaspiro[5.5]undecan-3-yl)prop-1-en-2-yl-trifluoroboranuide
CID 106746003

Frequently Asked Questions

What is the IUPAC name of 3-(8-azaspiro[4.5]decan-8-yl)-N-propan-2-ylprop-1-en-2-amine;ethane;2-methylpentane?
The IUPAC name of 3-(8-azaspiro[4.5]decan-8-yl)-N-propan-2-ylprop-1-en-2-amine;ethane;2-methylpentane (CID 170569656) is 3-(8-azaspiro[4.5]decan-8-yl)-N-propan-2-ylprop-1-en-2-amine;ethane;2-methylpentane.
What is the SMILES notation for 3-(8-azaspiro[4.5]decan-8-yl)-N-propan-2-ylprop-1-en-2-amine;ethane;2-methylpentane?
The canonical SMILES for 3-(8-azaspiro[4.5]decan-8-yl)-N-propan-2-ylprop-1-en-2-amine;ethane;2-methylpentane is C=C(CN1CCC2(CCCC2)CC1)NC(C)C.CC.CCCC(C)C.
What is the InChIKey of 3-(8-azaspiro[4.5]decan-8-yl)-N-propan-2-ylprop-1-en-2-amine;ethane;2-methylpentane?
The InChIKey is MDYFDLSDTNHUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2.C6H14.C2H6/c1-13(2)16-14(3)12-17-10-8-15(9-11-17)6-4-5-7-15;1-4-5-6(2)3;1-2/h13,16H,3-12H2,1-2H3;6H,4-5H2,1-3H3;1-2H3.
What are the key properties of 3-(8-azaspiro[4.5]decan-8-yl)-N-propan-2-ylprop-1-en-2-amine;ethane;2-methylpentane?
3-(8-azaspiro[4.5]decan-8-yl)-N-propan-2-ylprop-1-en-2-amine;ethane;2-methylpentane has a molecular weight of 352.65 g/mol, XLogP of 6.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-azaspiro[4.5]decan-8-yl)-N-propan-2-ylprop-1-en-2-amine;ethane;2-methylpentane is sourced from PubChem (CID 170569656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).