N-ethyl-3-(3-methylbutoxy)spiro[3.6]decan-1-amine

C17H33NO — CID 66357172

IUPACN-ethyl-3-(3-methylbutoxy)spiro[3.6]decan-1-amine
SMILESCCNC1CC(OCCC(C)C)C12CCCCCC2
InChIInChI=1S/C17H33NO/c1-4-18-15-13-16(19-12-9-14(2)3)17(15)10-7-5-6-8-11-17/h14-16,18H,4-13H2,1-3H3
InChIKeyLKQVFYMLLWPRNM-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.14
Rot. Bonds6

About N-ethyl-3-(3-methylbutoxy)spiro[3.6]decan-1-amine

N-ethyl-3-(3-methylbutoxy)spiro[3.6]decan-1-amine (PubChem CID 66357172) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is N-ethyl-3-(3-methylbutoxy)spiro[3.6]decan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(3-methylbutoxy)spiro[3.6]decan-1-amine
PubChem CID66357172
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC NameN-ethyl-3-(3-methylbutoxy)spiro[3.6]decan-1-amine
SMILESCCNC1CC(OCCC(C)C)C12CCCCCC2
InChIInChI=1S/C17H33NO/c1-4-18-15-13-16(19-12-9-14(2)3)17(15)10-7-5-6-8-11-17/h14-16,18H,4-13H2,1-3H3
InChIKeyLKQVFYMLLWPRNM-UHFFFAOYSA-N
XLogP4.14
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 ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-(4-methylpentoxy)spiro[3.5]nonan-1-amine
CID 66358237
N-ethyl-3-[2-(2-methylpropoxy)ethoxy]spiro[3.5]nonan-1-amine
CID 106451100
N-ethyl-3-heptoxyspiro[3.6]decan-1-amine
CID 66357419
N-ethyl-3-pentoxyspiro[3.4]octan-1-amine
CID 66356663
N-ethyl-3-(3,3,3-trifluoropropoxy)spiro[3.6]decan-1-amine
CID 82956691
N-ethyl-3-(3,3,3-trifluoropropoxy)spiro[3.5]nonan-1-amine
CID 82958075
3-ethoxy-N-(4-methylpentyl)spiro[3.5]nonan-1-amine
CID 65167976
1-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]propan-2-ol
CID 65168000
3-cyclohexyloxy-N-ethylspiro[3.5]nonan-1-amine
CID 66358779
3-butoxy-N-propylspiro[3.6]decan-1-amine
CID 66357055
3-(3-methylbutoxy)spiro[3.4]octan-1-ol
CID 66367928
N-ethyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.4]octan-1-amine
CID 66350530

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(3-methylbutoxy)spiro[3.6]decan-1-amine?
The IUPAC name of N-ethyl-3-(3-methylbutoxy)spiro[3.6]decan-1-amine (CID 66357172) is N-ethyl-3-(3-methylbutoxy)spiro[3.6]decan-1-amine.
What is the SMILES notation for N-ethyl-3-(3-methylbutoxy)spiro[3.6]decan-1-amine?
The canonical SMILES for N-ethyl-3-(3-methylbutoxy)spiro[3.6]decan-1-amine is CCNC1CC(OCCC(C)C)C12CCCCCC2.
What is the InChIKey of N-ethyl-3-(3-methylbutoxy)spiro[3.6]decan-1-amine?
The InChIKey is LKQVFYMLLWPRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-4-18-15-13-16(19-12-9-14(2)3)17(15)10-7-5-6-8-11-17/h14-16,18H,4-13H2,1-3H3.
What are the key properties of N-ethyl-3-(3-methylbutoxy)spiro[3.6]decan-1-amine?
N-ethyl-3-(3-methylbutoxy)spiro[3.6]decan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(3-methylbutoxy)spiro[3.6]decan-1-amine is sourced from PubChem (CID 66357172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).