2,2-dimethyl-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine

C17H35NO — CID 105053115

IUPAC2,2-dimethyl-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine
SMILESCCCNC(C1CC(C)(C)OC1(C)C)C(C)(C)CC
InChIInChI=1S/C17H35NO/c1-9-11-18-14(15(3,4)10-2)13-12-16(5,6)19-17(13,7)8/h13-14,18H,9-12H2,1-8H3
InChIKeyGRPYYQQGVMBBOV-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.38
Rot. Bonds6

About 2,2-dimethyl-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine

2,2-dimethyl-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine (PubChem CID 105053115) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is 2,2-dimethyl-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine
PubChem CID105053115
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC Name2,2-dimethyl-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine
SMILESCCCNC(C1CC(C)(C)OC1(C)C)C(C)(C)CC
InChIInChI=1S/C17H35NO/c1-9-11-18-14(15(3,4)10-2)13-12-16(5,6)19-17(13,7)8/h13-14,18H,9-12H2,1-8H3
InChIKeyGRPYYQQGVMBBOV-UHFFFAOYSA-N
XLogP4.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4,4-difluorocyclohexyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine
CID 105189178
N-ethyl-4,4,4-trifluoro-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine
CID 114623315
4,4,4-trifluoro-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine
CID 114623316
3-Hept-4-ylamino-8-t-butyl-1-oxaspiro(4,5)-decane
CID 19040152
8-t-Butyl-3-cyclohexylaminomethyl-1-oxaspiro-(4,5)decane
CID 19040153
N-[(8-tert-butyl-1-oxaspiro[4.5]decan-3-yl)methyl]octan-1-amine
CID 19040156
N-[(8-tert-butyl-1-oxaspiro[4.5]decan-3-yl)methyl]hexan-1-amine
CID 19040162
2,2,6,9-Tetramethyl-1-oxa-8-azaspiro[4.5]decane
CID 19995135
N-butyl-8-tert-butyl-1-oxaspiro[4.5]decan-3-amine
CID 21899954
N-butyl-8-(2-methylhexan-2-yl)-1-oxaspiro[4.5]decan-3-amine
CID 69345649
N-butan-2-yl-3,4-dimethyl-8-(3-methylpentan-3-yloxy)octan-2-amine
CID 91543836
3-[1,5-Dimethyl-5-(1-methylcyclodecyl)oxycyclononyl]pyrrolidine
CID 134353390

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine?
The IUPAC name of 2,2-dimethyl-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine (CID 105053115) is 2,2-dimethyl-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine is CCCNC(C1CC(C)(C)OC1(C)C)C(C)(C)CC.
What is the InChIKey of 2,2-dimethyl-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine?
The InChIKey is GRPYYQQGVMBBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-9-11-18-14(15(3,4)10-2)13-12-16(5,6)19-17(13,7)8/h13-14,18H,9-12H2,1-8H3.
What are the key properties of 2,2-dimethyl-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine?
2,2-dimethyl-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine has a molecular weight of 269.47 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine is sourced from PubChem (CID 105053115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).