N-ethyl-2-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine

C17H33NO — CID 102900369

IUPACN-ethyl-2-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine
SMILESCCNCC(C)(CC)CC1CCC2(CCCCC2)O1
InChIInChI=1S/C17H33NO/c1-4-16(3,14-18-5-2)13-15-9-12-17(19-15)10-7-6-8-11-17/h15,18H,4-14H2,1-3H3
InChIKeyKTFKBYMEIFTTAW-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.28
Rot. Bonds6

About N-ethyl-2-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine

N-ethyl-2-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine (PubChem CID 102900369) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is N-ethyl-2-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine
PubChem CID102900369
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC NameN-ethyl-2-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine
SMILESCCNCC(C)(CC)CC1CCC2(CCCCC2)O1
InChIInChI=1S/C17H33NO/c1-4-16(3,14-18-5-2)13-15-9-12-17(19-15)10-7-6-8-11-17/h15,18H,4-14H2,1-3H3
InChIKeyKTFKBYMEIFTTAW-UHFFFAOYSA-N
XLogP4.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)but-3-en-1-amine
CID 102900563
2-methyl-2-(1-oxaspiro[4.4]nonan-2-ylmethyl)propane-1,3-diol
CID 102902443
2-ethyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-ol
CID 102902006
2,2-dimethyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-1-amine
CID 102896955
2-(3-chloro-2,2-dimethylpropyl)-1-oxaspiro[4.5]decane
CID 102902077
2-(chloromethyl)-2-ethyl-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine
CID 106252571
2-methyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-2-amine
CID 102896742
tert-butyl N-[2-(hydroxymethyl)-2-methyl-3-(1-oxaspiro[4.4]nonan-2-yl)propyl]carbamate
CID 106508716
N,N,2,2-tetramethyl-N'-(1-oxaspiro[4.5]decan-2-ylmethyl)propane-1,3-diamine
CID 102896603
2-ethyl-2-(1-oxaspiro[4.5]decan-2-ylmethylamino)propane-1,3-diol
CID 107865527
2-N,2-N,2-trimethyl-1-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propane-1,2-diamine
CID 102897097
1-chloro-2-(chloromethyl)-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-2-amine
CID 107867048

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine?
The IUPAC name of N-ethyl-2-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine (CID 102900369) is N-ethyl-2-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine?
The canonical SMILES for N-ethyl-2-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine is CCNCC(C)(CC)CC1CCC2(CCCCC2)O1.
What is the InChIKey of N-ethyl-2-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine?
The InChIKey is KTFKBYMEIFTTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-4-16(3,14-18-5-2)13-15-9-12-17(19-15)10-7-6-8-11-17/h15,18H,4-14H2,1-3H3.
What are the key properties of N-ethyl-2-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine?
N-ethyl-2-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-2-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine is sourced from PubChem (CID 102900369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).