3-(3-azaspiro[5.5]undecan-3-yl)-N-tert-butyl-2,2-dimethylpropan-1-amine

C19H38N2 — CID 63494708

IUPAC3-(3-azaspiro[5.5]undecan-3-yl)-N-tert-butyl-2,2-dimethylpropan-1-amine
SMILESCC(C)(CNC(C)(C)C)CN1CCC2(CCCCC2)CC1
InChIInChI=1S/C19H38N2/c1-17(2,3)20-15-18(4,5)16-21-13-11-19(12-14-21)9-7-6-8-10-19/h20H,6-16H2,1-5H3
InChIKeyIOZYVEHTZFRLSK-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.45
Rot. Bonds4

About 3-(3-azaspiro[5.5]undecan-3-yl)-N-tert-butyl-2,2-dimethylpropan-1-amine

3-(3-azaspiro[5.5]undecan-3-yl)-N-tert-butyl-2,2-dimethylpropan-1-amine (PubChem CID 63494708) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is 3-(3-azaspiro[5.5]undecan-3-yl)-N-tert-butyl-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(3-azaspiro[5.5]undecan-3-yl)-N-tert-butyl-2,2-dimethylpropan-1-amine
PubChem CID63494708
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC Name3-(3-azaspiro[5.5]undecan-3-yl)-N-tert-butyl-2,2-dimethylpropan-1-amine
SMILESCC(C)(CNC(C)(C)C)CN1CCC2(CCCCC2)CC1
InChIInChI=1S/C19H38N2/c1-17(2,3)20-15-18(4,5)16-21-13-11-19(12-14-21)9-7-6-8-10-19/h20H,6-16H2,1-5H3
InChIKeyIOZYVEHTZFRLSK-UHFFFAOYSA-N
XLogP4.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-azaspiro[5.5]undecan-3-yl)-2,2-dimethylpropan-1-amine
CID 55156710
N-tert-butyl-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2,2-dimethylpropan-1-amine
CID 62270799
2-(3-azaspiro[5.5]undecan-3-ylmethyl)-N,2-dimethylpentan-1-amine
CID 63494161
N-tert-butyl-2,2-dimethyl-3-(4-methylazepan-1-yl)propan-1-amine
CID 55249989
methyl 3-(3-azaspiro[5.5]undecan-3-yl)-2,2-dimethylpropanoate
CID 79620588
2-(3-azaspiro[5.5]undecan-3-ylmethyl)-N,2-diethylbutan-1-amine
CID 63494890
3-(8-azaspiro[4.5]decan-8-yl)-2-methyl-2-(propylamino)propan-1-ol
CID 64789656
methyl 2-amino-3-(3-azaspiro[5.5]undecan-3-yl)-2-methylpropanoate
CID 55157662
N-tert-butyl-2,2-dimethyl-3-(3-methylpiperidin-1-yl)propan-1-amine
CID 62263552
4-(8-azaspiro[4.5]decan-8-yl)-3,3-dimethylbutan-2-one
CID 66452950
N-tert-butyl-3-[4-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-amine
CID 63973765
3-(8-azaspiro[4.5]decan-8-yl)-2,2-dimethylpropanehydrazide
CID 79628363

Frequently Asked Questions

What is the IUPAC name of 3-(3-azaspiro[5.5]undecan-3-yl)-N-tert-butyl-2,2-dimethylpropan-1-amine?
The IUPAC name of 3-(3-azaspiro[5.5]undecan-3-yl)-N-tert-butyl-2,2-dimethylpropan-1-amine (CID 63494708) is 3-(3-azaspiro[5.5]undecan-3-yl)-N-tert-butyl-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 3-(3-azaspiro[5.5]undecan-3-yl)-N-tert-butyl-2,2-dimethylpropan-1-amine?
The canonical SMILES for 3-(3-azaspiro[5.5]undecan-3-yl)-N-tert-butyl-2,2-dimethylpropan-1-amine is CC(C)(CNC(C)(C)C)CN1CCC2(CCCCC2)CC1.
What is the InChIKey of 3-(3-azaspiro[5.5]undecan-3-yl)-N-tert-butyl-2,2-dimethylpropan-1-amine?
The InChIKey is IOZYVEHTZFRLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-17(2,3)20-15-18(4,5)16-21-13-11-19(12-14-21)9-7-6-8-10-19/h20H,6-16H2,1-5H3.
What are the key properties of 3-(3-azaspiro[5.5]undecan-3-yl)-N-tert-butyl-2,2-dimethylpropan-1-amine?
3-(3-azaspiro[5.5]undecan-3-yl)-N-tert-butyl-2,2-dimethylpropan-1-amine has a molecular weight of 294.53 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-azaspiro[5.5]undecan-3-yl)-N-tert-butyl-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 63494708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).