N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1-oxaspiro[5.5]undecan-4-amine

C18H32N2O — CID 106599659

IUPACN-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1-oxaspiro[5.5]undecan-4-amine
SMILESC1CCC2(CC1)CC(N(CC1CCCN1)C1CC1)CCO2
InChIInChI=1S/C18H32N2O/c1-2-9-18(10-3-1)13-17(8-12-21-18)20(16-6-7-16)14-15-5-4-11-19-15/h15-17,19H,1-14H2
InChIKeyROJWIJBMKQCKHO-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.08
Rot. Bonds4

About N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1-oxaspiro[5.5]undecan-4-amine

N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1-oxaspiro[5.5]undecan-4-amine (PubChem CID 106599659) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1-oxaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1-oxaspiro[5.5]undecan-4-amine
PubChem CID106599659
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC NameN-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1-oxaspiro[5.5]undecan-4-amine
SMILESC1CCC2(CC1)CC(N(CC1CCCN1)C1CC1)CCO2
InChIInChI=1S/C18H32N2O/c1-2-9-18(10-3-1)13-17(8-12-21-18)20(16-6-7-16)14-15-5-4-11-19-15/h15-17,19H,1-14H2
InChIKeyROJWIJBMKQCKHO-UHFFFAOYSA-N
XLogP3.08
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-cyclopropyl-N-(pyrrolidin-2-ylmethyl)cycloheptanamine
CID 106598991
N-(piperidin-2-ylmethyl)-N-propan-2-yl-5-oxaspiro[3.5]nonan-8-amine
CID 106632077
2-[cyclopropyl(6-oxaspiro[4.5]decan-9-yl)amino]acetic acid
CID 79894047
N'-cyclopentyl-N'-(1-oxaspiro[5.5]undecan-4-yl)propane-1,3-diamine
CID 79901023
N,2,2-trimethyl-N-(pyrrolidin-2-ylmethyl)oxan-4-amine
CID 106602778
3-[cyclopropyl(5-oxaspiro[3.5]nonan-8-yl)amino]propanoic acid
CID 79894193
N-ethyl-N-(piperidin-2-ylmethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 106632717
3-[[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]methyl]pyrrolidin-3-ol
CID 114761198
N-cyclopropyl-N-(piperidin-4-ylmethyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79898827
3-[cyclopropyl(6-oxaspiro[4.5]decan-9-yl)amino]propanimidamide
CID 79906210

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1-oxaspiro[5.5]undecan-4-amine?
The IUPAC name of N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1-oxaspiro[5.5]undecan-4-amine (CID 106599659) is N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1-oxaspiro[5.5]undecan-4-amine.
What is the SMILES notation for N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1-oxaspiro[5.5]undecan-4-amine?
The canonical SMILES for N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1-oxaspiro[5.5]undecan-4-amine is C1CCC2(CC1)CC(N(CC1CCCN1)C1CC1)CCO2.
What is the InChIKey of N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1-oxaspiro[5.5]undecan-4-amine?
The InChIKey is ROJWIJBMKQCKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-2-9-18(10-3-1)13-17(8-12-21-18)20(16-6-7-16)14-15-5-4-11-19-15/h15-17,19H,1-14H2.
What are the key properties of N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1-oxaspiro[5.5]undecan-4-amine?
N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1-oxaspiro[5.5]undecan-4-amine has a molecular weight of 292.47 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-1-oxaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 106599659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).