N-butyl-N-(pyrrolidin-2-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine

C17H32N2O2 — CID 106604774

IUPACN-butyl-N-(pyrrolidin-2-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCCCCN(CC1CCCN1)C1CCC2(CC1)OCCO2
InChIInChI=1S/C17H32N2O2/c1-2-3-11-19(14-15-5-4-10-18-15)16-6-8-17(9-7-16)20-12-13-21-17/h15-16,18H,2-14H2,1H3
InChIKeyASHQYSMJGOZCDW-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.53
Rot. Bonds6

About N-butyl-N-(pyrrolidin-2-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine

N-butyl-N-(pyrrolidin-2-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 106604774) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is N-butyl-N-(pyrrolidin-2-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-butyl-N-(pyrrolidin-2-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID106604774
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC NameN-butyl-N-(pyrrolidin-2-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESCCCCN(CC1CCCN1)C1CCC2(CC1)OCCO2
InChIInChI=1S/C17H32N2O2/c1-2-3-11-19(14-15-5-4-10-18-15)16-6-8-17(9-7-16)20-12-13-21-17/h15-16,18H,2-14H2,1H3
InChIKeyASHQYSMJGOZCDW-UHFFFAOYSA-N
XLogP2.53
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-2,6-dimethyl-N-(pyrrolidin-2-ylmethyl)oxan-4-amine
CID 106604803
N-methyl-N-(piperidin-2-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 106622935
N-butyl-4-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cycloheptan-1-amine
CID 106604985
N-propyl-N-(pyrrolidin-2-ylmethyl)oxan-4-amine
CID 106604067
N-propyl-N-(pyrrolidin-2-ylmethyl)-6-oxaspiro[4.5]decan-9-amine
CID 106615997
N-propyl-N-(pyrrolidin-2-ylmethyl)-5-oxaspiro[3.5]nonan-8-amine
CID 106615927
N-propyl-N-(pyrrolidin-2-ylmethyl)cyclohexanamine
CID 106603994
N-(2-butoxyethyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 104979302
N-(3-ethoxypropyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 104979258
N-butyl-2-methoxy-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine
CID 106873334
N-butyl-N-(pyrrolidin-2-ylmethyl)cyclohex-2-en-1-amine
CID 106616594
N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]butan-1-amine
CID 22689623

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(pyrrolidin-2-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of N-butyl-N-(pyrrolidin-2-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine (CID 106604774) is N-butyl-N-(pyrrolidin-2-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for N-butyl-N-(pyrrolidin-2-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for N-butyl-N-(pyrrolidin-2-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine is CCCCN(CC1CCCN1)C1CCC2(CC1)OCCO2.
What is the InChIKey of N-butyl-N-(pyrrolidin-2-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is ASHQYSMJGOZCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-2-3-11-19(14-15-5-4-10-18-15)16-6-8-17(9-7-16)20-12-13-21-17/h15-16,18H,2-14H2,1H3.
What are the key properties of N-butyl-N-(pyrrolidin-2-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine?
N-butyl-N-(pyrrolidin-2-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 296.45 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(pyrrolidin-2-ylmethyl)-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 106604774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).