N-tert-butyl-3-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methylbutan-1-amine

C18H35NO2 — CID 81026781

IUPACN-tert-butyl-3-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methylbutan-1-amine
SMILESCC(C)(C)NCCC(C)(C)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C18H35NO2/c1-16(2,3)19-10-7-17(4,5)15-6-11-21-18(14-15)8-12-20-13-9-18/h15,19H,6-14H2,1-5H3
InChIKeyMWCDKMNQGJRXJX-UHFFFAOYSA-N
MW297.48 g/mol
LogP3.77
Rot. Bonds4

About N-tert-butyl-3-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methylbutan-1-amine

N-tert-butyl-3-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methylbutan-1-amine (PubChem CID 81026781) has the molecular formula C18H35NO2 and a molecular weight of 297.48 g/mol. Its IUPAC name is N-tert-butyl-3-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methylbutan-1-amine
PubChem CID81026781
Molecular FormulaC18H35NO2
Molecular Weight297.48 g/mol
Exact Mass297.27
IUPAC NameN-tert-butyl-3-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methylbutan-1-amine
SMILESCC(C)(C)NCCC(C)(C)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C18H35NO2/c1-16(2,3)19-10-7-17(4,5)15-6-11-21-18(14-15)8-12-20-13-9-18/h15,19H,6-14H2,1-5H3
InChIKeyMWCDKMNQGJRXJX-UHFFFAOYSA-N
XLogP3.77
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.48
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,9-dioxaspiro[5.5]undecan-4-yl)butan-2-amine
CID 79912977
3-methyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)-N-propylbutan-1-amine
CID 81023004
3-methyl-3-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-amine
CID 81014334
4-(2,6-dioxaspiro[4.5]decan-9-yl)-4-methylpentan-2-one
CID 79923487
2-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methylbutan-2-ol
CID 79899451
3-methyl-3-(6-oxa-2-thiaspiro[4.5]decan-9-yl)-N-propan-2-ylbutan-1-amine
CID 81023417
2-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-methylbutanoic acid
CID 79901467
1-(tert-butylamino)-2-(1-oxaspiro[5.5]undecan-4-yl)propan-2-ol
CID 79909309
2-(2,6-dioxaspiro[4.5]decan-9-yl)-2-fluoropropan-1-amine
CID 112565121
2-(2,6-dioxaspiro[4.5]decan-9-yl)-4-(2-methoxyethylamino)butan-2-ol
CID 79908770
4-methyl-1,9-dioxaspiro[5.5]undecane
CID 131067264
N-cyclopropyl-1,9-dioxaspiro[5.5]undecan-4-amine
CID 79897682

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methylbutan-1-amine?
The IUPAC name of N-tert-butyl-3-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methylbutan-1-amine (CID 81026781) is N-tert-butyl-3-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methylbutan-1-amine.
What is the SMILES notation for N-tert-butyl-3-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methylbutan-1-amine?
The canonical SMILES for N-tert-butyl-3-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methylbutan-1-amine is CC(C)(C)NCCC(C)(C)C1CCOC2(CCOCC2)C1.
What is the InChIKey of N-tert-butyl-3-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methylbutan-1-amine?
The InChIKey is MWCDKMNQGJRXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO2/c1-16(2,3)19-10-7-17(4,5)15-6-11-21-18(14-15)8-12-20-13-9-18/h15,19H,6-14H2,1-5H3.
What are the key properties of N-tert-butyl-3-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methylbutan-1-amine?
N-tert-butyl-3-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methylbutan-1-amine has a molecular weight of 297.48 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(1,9-dioxaspiro[5.5]undecan-4-yl)-3-methylbutan-1-amine is sourced from PubChem (CID 81026781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).