2-(3-azaspiro[5.5]undecan-3-ylmethyl)-N,2-diethylbutan-1-amine

C19H38N2 — CID 63494890

IUPAC2-(3-azaspiro[5.5]undecan-3-ylmethyl)-N,2-diethylbutan-1-amine
SMILESCCNCC(CC)(CC)CN1CCC2(CCCCC2)CC1
InChIInChI=1S/C19H38N2/c1-4-18(5-2,16-20-6-3)17-21-14-12-19(13-15-21)10-8-7-9-11-19/h20H,4-17H2,1-3H3
InChIKeyJDWNJPCJPGYDEV-UHFFFAOYSA-N
MW294.53 g/mol
LogP4.45
Rot. Bonds7

About 2-(3-azaspiro[5.5]undecan-3-ylmethyl)-N,2-diethylbutan-1-amine

2-(3-azaspiro[5.5]undecan-3-ylmethyl)-N,2-diethylbutan-1-amine (PubChem CID 63494890) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is 2-(3-azaspiro[5.5]undecan-3-ylmethyl)-N,2-diethylbutan-1-amine.

Molecular Properties

Compound Name2-(3-azaspiro[5.5]undecan-3-ylmethyl)-N,2-diethylbutan-1-amine
PubChem CID63494890
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC Name2-(3-azaspiro[5.5]undecan-3-ylmethyl)-N,2-diethylbutan-1-amine
SMILESCCNCC(CC)(CC)CN1CCC2(CCCCC2)CC1
InChIInChI=1S/C19H38N2/c1-4-18(5-2,16-20-6-3)17-21-14-12-19(13-15-21)10-8-7-9-11-19/h20H,4-17H2,1-3H3
InChIKeyJDWNJPCJPGYDEV-UHFFFAOYSA-N
XLogP4.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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

N,2-diethyl-2-(1,4-oxazepan-4-ylmethyl)butan-1-amine
CID 62974610
N,2-diethyl-2-(1,4-thiazepan-4-ylmethyl)butan-1-amine
CID 62270235
N,2-diethyl-2-[(4-ethylpiperidin-1-yl)methyl]butan-1-amine
CID 62259717
2-[(4-cyclopropylpiperazin-1-yl)methyl]-N,2-diethylbutan-1-amine
CID 55056218
N,2-diethyl-2-[(3-methoxy-3-methylpiperidin-1-yl)methyl]butan-1-amine
CID 107395092
2-(3-azaspiro[5.5]undecan-3-ylmethyl)-N,2-dimethylpentan-1-amine
CID 63494161
3-(3-azaspiro[5.5]undecan-3-yl)-N-tert-butyl-2,2-dimethylpropan-1-amine
CID 63494708
4-(3-azaspiro[5.5]undecan-3-yl)-N-ethylbutan-1-amine
CID 62931160
N,2-diethyl-2-[(3-methylpyrrolidin-1-yl)methyl]butan-1-amine
CID 62257771
2-ethyl-N-(2-methylpropyl)-2-(pyrrolidin-1-ylmethyl)butan-1-amine
CID 55051897
3-(3-azaspiro[5.5]undecan-3-yl)-2,2-dimethylpropan-1-amine
CID 55156710
4-(8-azaspiro[4.5]decan-8-yl)-3,3-dimethylbutan-2-one
CID 66452950

Frequently Asked Questions

What is the IUPAC name of 2-(3-azaspiro[5.5]undecan-3-ylmethyl)-N,2-diethylbutan-1-amine?
The IUPAC name of 2-(3-azaspiro[5.5]undecan-3-ylmethyl)-N,2-diethylbutan-1-amine (CID 63494890) is 2-(3-azaspiro[5.5]undecan-3-ylmethyl)-N,2-diethylbutan-1-amine.
What is the SMILES notation for 2-(3-azaspiro[5.5]undecan-3-ylmethyl)-N,2-diethylbutan-1-amine?
The canonical SMILES for 2-(3-azaspiro[5.5]undecan-3-ylmethyl)-N,2-diethylbutan-1-amine is CCNCC(CC)(CC)CN1CCC2(CCCCC2)CC1.
What is the InChIKey of 2-(3-azaspiro[5.5]undecan-3-ylmethyl)-N,2-diethylbutan-1-amine?
The InChIKey is JDWNJPCJPGYDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2/c1-4-18(5-2,16-20-6-3)17-21-14-12-19(13-15-21)10-8-7-9-11-19/h20H,4-17H2,1-3H3.
What are the key properties of 2-(3-azaspiro[5.5]undecan-3-ylmethyl)-N,2-diethylbutan-1-amine?
2-(3-azaspiro[5.5]undecan-3-ylmethyl)-N,2-diethylbutan-1-amine has a molecular weight of 294.53 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azaspiro[5.5]undecan-3-ylmethyl)-N,2-diethylbutan-1-amine is sourced from PubChem (CID 63494890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).