N-[(6-ethyl-2,2-dimethylspiro[2.5]octan-1-yl)methyl]-2-methylpropan-1-amine

C17H33N — CID 114229867

IUPACN-[(6-ethyl-2,2-dimethylspiro[2.5]octan-1-yl)methyl]-2-methylpropan-1-amine
SMILESCCC1CCC2(CC1)C(CNCC(C)C)C2(C)C
InChIInChI=1S/C17H33N/c1-6-14-7-9-17(10-8-14)15(16(17,4)5)12-18-11-13(2)3/h13-15,18H,6-12H2,1-5H3
InChIKeySBQIJGRPTRBYQR-UHFFFAOYSA-N
MW251.46 g/mol
LogP4.47
Rot. Bonds5

About N-[(6-ethyl-2,2-dimethylspiro[2.5]octan-1-yl)methyl]-2-methylpropan-1-amine

N-[(6-ethyl-2,2-dimethylspiro[2.5]octan-1-yl)methyl]-2-methylpropan-1-amine (PubChem CID 114229867) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is N-[(6-ethyl-2,2-dimethylspiro[2.5]octan-1-yl)methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[(6-ethyl-2,2-dimethylspiro[2.5]octan-1-yl)methyl]-2-methylpropan-1-amine
PubChem CID114229867
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC NameN-[(6-ethyl-2,2-dimethylspiro[2.5]octan-1-yl)methyl]-2-methylpropan-1-amine
SMILESCCC1CCC2(CC1)C(CNCC(C)C)C2(C)C
InChIInChI=1S/C17H33N/c1-6-14-7-9-17(10-8-14)15(16(17,4)5)12-18-11-13(2)3/h13-15,18H,6-12H2,1-5H3
InChIKeySBQIJGRPTRBYQR-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.46
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(6-ethyl-2,2-dimethylspiro[2.5]octan-1-yl)methanol
CID 130488936
N-[(6-ethylspiro[2.5]octan-2-yl)methyl]-2-methylpropan-1-amine
CID 62712279
2-methyl-N-[(2,2,5-trimethyl-6-oxaspiro[2.5]octan-1-yl)methyl]propan-1-amine
CID 114229845
N-[(3-ethylcyclobutyl)methyl]-2-methylpropan-1-amine
CID 64999747
(6-ethyl-2,2-dimethylspiro[2.4]heptan-1-yl)methanol
CID 130488861
N-[(2,2-dimethyl-6-propan-2-ylspiro[2.5]octan-1-yl)methyl]cyclopropanamine
CID 114229747
N-[[2-(4-ethylcyclohexyl)cyclopentyl]methyl]-2-methylpropan-1-amine
CID 81028909
3-(4-ethylpiperidin-1-yl)-2-methyl-N-(2-methylpropyl)butan-1-amine
CID 81012074
N-[(4-ethylpiperidin-2-yl)methyl]-2-methylpropan-1-amine
CID 114430810
4-ethyl-1-[(2-methylbutylamino)methyl]cyclohexan-1-ol
CID 65115854
2-methyl-N-[[1-(2,2,3,3-tetramethylcyclopropyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 79358955
1-cyclopropyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanamine
CID 66476314

Frequently Asked Questions

What is the IUPAC name of N-[(6-ethyl-2,2-dimethylspiro[2.5]octan-1-yl)methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[(6-ethyl-2,2-dimethylspiro[2.5]octan-1-yl)methyl]-2-methylpropan-1-amine (CID 114229867) is N-[(6-ethyl-2,2-dimethylspiro[2.5]octan-1-yl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(6-ethyl-2,2-dimethylspiro[2.5]octan-1-yl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(6-ethyl-2,2-dimethylspiro[2.5]octan-1-yl)methyl]-2-methylpropan-1-amine is CCC1CCC2(CC1)C(CNCC(C)C)C2(C)C.
What is the InChIKey of N-[(6-ethyl-2,2-dimethylspiro[2.5]octan-1-yl)methyl]-2-methylpropan-1-amine?
The InChIKey is SBQIJGRPTRBYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-6-14-7-9-17(10-8-14)15(16(17,4)5)12-18-11-13(2)3/h13-15,18H,6-12H2,1-5H3.
What are the key properties of N-[(6-ethyl-2,2-dimethylspiro[2.5]octan-1-yl)methyl]-2-methylpropan-1-amine?
N-[(6-ethyl-2,2-dimethylspiro[2.5]octan-1-yl)methyl]-2-methylpropan-1-amine has a molecular weight of 251.46 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-ethyl-2,2-dimethylspiro[2.5]octan-1-yl)methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 114229867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).