1-(cyclopropylmethyl)-N,N,4,10,10-pentamethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide

C18H34N4O — CID 168983173

IUPAC1-(cyclopropylmethyl)-N,N,4,10,10-pentamethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
SMILESCN1CCN(CC2CC2)C2(CCN(C(=O)N(C)C)C(C)(C)C2)C1
InChIInChI=1S/C18H34N4O/c1-17(2)13-18(8-9-22(17)16(23)19(3)4)14-20(5)10-11-21(18)12-15-6-7-15/h15H,6-14H2,1-5H3
InChIKeyFPJFKZXUTBYTDF-UHFFFAOYSA-N
MW322.50 g/mol
LogP1.94
Rot. Bonds2

About 1-(cyclopropylmethyl)-N,N,4,10,10-pentamethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide

1-(cyclopropylmethyl)-N,N,4,10,10-pentamethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide (PubChem CID 168983173) has the molecular formula C18H34N4O and a molecular weight of 322.50 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-N,N,4,10,10-pentamethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-N,N,4,10,10-pentamethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
PubChem CID168983173
Molecular FormulaC18H34N4O
Molecular Weight322.50 g/mol
Exact Mass322.27
IUPAC Name1-(cyclopropylmethyl)-N,N,4,10,10-pentamethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide
SMILESCN1CCN(CC2CC2)C2(CCN(C(=O)N(C)C)C(C)(C)C2)C1
InChIInChI=1S/C18H34N4O/c1-17(2)13-18(8-9-22(17)16(23)19(3)4)14-20(5)10-11-21(18)12-15-6-7-15/h15H,6-14H2,1-5H3
InChIKeyFPJFKZXUTBYTDF-UHFFFAOYSA-N
XLogP1.94
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.50
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-N,N,4,10,10-pentamethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide?
The IUPAC name of 1-(cyclopropylmethyl)-N,N,4,10,10-pentamethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide (CID 168983173) is 1-(cyclopropylmethyl)-N,N,4,10,10-pentamethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide.
What is the SMILES notation for 1-(cyclopropylmethyl)-N,N,4,10,10-pentamethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide?
The canonical SMILES for 1-(cyclopropylmethyl)-N,N,4,10,10-pentamethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide is CN1CCN(CC2CC2)C2(CCN(C(=O)N(C)C)C(C)(C)C2)C1.
What is the InChIKey of 1-(cyclopropylmethyl)-N,N,4,10,10-pentamethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide?
The InChIKey is FPJFKZXUTBYTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O/c1-17(2)13-18(8-9-22(17)16(23)19(3)4)14-20(5)10-11-21(18)12-15-6-7-15/h15H,6-14H2,1-5H3.
What are the key properties of 1-(cyclopropylmethyl)-N,N,4,10,10-pentamethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide?
1-(cyclopropylmethyl)-N,N,4,10,10-pentamethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide has a molecular weight of 322.50 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-N,N,4,10,10-pentamethyl-1,4,9-triazaspiro[5.5]undecane-9-carboxamide is sourced from PubChem (CID 168983173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).