N-[2-(oxolan-2-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine

C16H29NO2 — CID 79895066

IUPACN-[2-(oxolan-2-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine
SMILESC1CCC2(CC1)CC(NCCC1CCCO1)CCO2
InChIInChI=1S/C16H29NO2/c1-2-8-16(9-3-1)13-14(7-12-19-16)17-10-6-15-5-4-11-18-15/h14-15,17H,1-13H2
InChIKeyPEBQUNDEAMXOPK-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.03
Rot. Bonds4

About N-[2-(oxolan-2-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine

N-[2-(oxolan-2-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine (PubChem CID 79895066) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is N-[2-(oxolan-2-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound NameN-[2-(oxolan-2-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine
PubChem CID79895066
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC NameN-[2-(oxolan-2-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine
SMILESC1CCC2(CC1)CC(NCCC1CCCO1)CCO2
InChIInChI=1S/C16H29NO2/c1-2-8-16(9-3-1)13-14(7-12-19-16)17-10-6-15-5-4-11-18-15/h14-15,17H,1-13H2
InChIKeyPEBQUNDEAMXOPK-UHFFFAOYSA-N
XLogP3.03
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(9S)-N-[[(2R)-oxolan-2-yl]methyl]-6-oxaspiro[4.5]decan-9-amine
CID 97102884
2,2-diethyl-N-[2-(oxolan-2-yl)ethyl]oxan-4-amine
CID 83032582
N-butyl-1-oxaspiro[5.5]undecan-4-amine
CID 79897622
N'-(5-oxaspiro[3.5]nonan-8-yl)ethane-1,2-diamine
CID 79895111
3,3-dimethyl-N-[2-(oxan-2-yl)ethyl]cyclopentan-1-amine
CID 104537106
N-(1-oxaspiro[5.5]undecan-4-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 79901598
N-[(1-methylcyclopentyl)methyl]-1-oxaspiro[5.5]undecan-4-amine
CID 79903273
N',N'-diethyl-N-(6-oxaspiro[4.5]decan-9-yl)ethane-1,2-diamine
CID 79898315
N-[2-(oxan-2-yl)ethyl]cyclopropanamine
CID 62548830
N-(5,5,5-trifluoropentyl)-6-oxaspiro[4.5]decan-9-amine
CID 115519107
N-[2-(trifluoromethylsulfanyl)ethyl]-6-oxaspiro[4.5]decan-9-amine
CID 114187750
2-(6-oxaspiro[4.5]decan-9-ylamino)ethylurea
CID 83120645

Frequently Asked Questions

What is the IUPAC name of N-[2-(oxolan-2-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine?
The IUPAC name of N-[2-(oxolan-2-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine (CID 79895066) is N-[2-(oxolan-2-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine.
What is the SMILES notation for N-[2-(oxolan-2-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine?
The canonical SMILES for N-[2-(oxolan-2-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine is C1CCC2(CC1)CC(NCCC1CCCO1)CCO2.
What is the InChIKey of N-[2-(oxolan-2-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine?
The InChIKey is PEBQUNDEAMXOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-2-8-16(9-3-1)13-14(7-12-19-16)17-10-6-15-5-4-11-18-15/h14-15,17H,1-13H2.
What are the key properties of N-[2-(oxolan-2-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine?
N-[2-(oxolan-2-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine has a molecular weight of 267.41 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(oxolan-2-yl)ethyl]-1-oxaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 79895066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).