5-(cyclopropylmethyl)-N,N,13-trimethyl-5,9,13-triazadispiro[2.2.56.23]tridecane-9-carboxamide

C18H32N4O — CID 168983528

IUPAC5-(cyclopropylmethyl)-N,N,13-trimethyl-5,9,13-triazadispiro[2.2.56.23]tridecane-9-carboxamide
SMILESCN(C)C(=O)N1CCC2(CC1)CN(C)C1(CC1)CN2CC1CC1
InChIInChI=1S/C18H32N4O/c1-19(2)16(23)21-10-8-18(9-11-21)13-20(3)17(6-7-17)14-22(18)12-15-4-5-15/h15H,4-14H2,1-3H3
InChIKeyBXNBXQSFNNSEGV-UHFFFAOYSA-N
MW320.48 g/mol
LogP1.69
Rot. Bonds2

About 5-(cyclopropylmethyl)-N,N,13-trimethyl-5,9,13-triazadispiro[2.2.56.23]tridecane-9-carboxamide

5-(cyclopropylmethyl)-N,N,13-trimethyl-5,9,13-triazadispiro[2.2.56.23]tridecane-9-carboxamide (PubChem CID 168983528) has the molecular formula C18H32N4O and a molecular weight of 320.48 g/mol. Its IUPAC name is 5-(cyclopropylmethyl)-N,N,13-trimethyl-5,9,13-triazadispiro[2.2.56.23]tridecane-9-carboxamide.

Molecular Properties

Compound Name5-(cyclopropylmethyl)-N,N,13-trimethyl-5,9,13-triazadispiro[2.2.56.23]tridecane-9-carboxamide
PubChem CID168983528
Molecular FormulaC18H32N4O
Molecular Weight320.48 g/mol
Exact Mass320.26
IUPAC Name5-(cyclopropylmethyl)-N,N,13-trimethyl-5,9,13-triazadispiro[2.2.56.23]tridecane-9-carboxamide
SMILESCN(C)C(=O)N1CCC2(CC1)CN(C)C1(CC1)CN2CC1CC1
InChIInChI=1S/C18H32N4O/c1-19(2)16(23)21-10-8-18(9-11-21)13-20(3)17(6-7-17)14-22(18)12-15-4-5-15/h15H,4-14H2,1-3H3
InChIKeyBXNBXQSFNNSEGV-UHFFFAOYSA-N
XLogP1.69
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethyl)-N,N,13-trimethyl-5,9,13-triazadispiro[2.2.56.23]tridecane-9-carboxamide?
The IUPAC name of 5-(cyclopropylmethyl)-N,N,13-trimethyl-5,9,13-triazadispiro[2.2.56.23]tridecane-9-carboxamide (CID 168983528) is 5-(cyclopropylmethyl)-N,N,13-trimethyl-5,9,13-triazadispiro[2.2.56.23]tridecane-9-carboxamide.
What is the SMILES notation for 5-(cyclopropylmethyl)-N,N,13-trimethyl-5,9,13-triazadispiro[2.2.56.23]tridecane-9-carboxamide?
The canonical SMILES for 5-(cyclopropylmethyl)-N,N,13-trimethyl-5,9,13-triazadispiro[2.2.56.23]tridecane-9-carboxamide is CN(C)C(=O)N1CCC2(CC1)CN(C)C1(CC1)CN2CC1CC1.
What is the InChIKey of 5-(cyclopropylmethyl)-N,N,13-trimethyl-5,9,13-triazadispiro[2.2.56.23]tridecane-9-carboxamide?
The InChIKey is BXNBXQSFNNSEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O/c1-19(2)16(23)21-10-8-18(9-11-21)13-20(3)17(6-7-17)14-22(18)12-15-4-5-15/h15H,4-14H2,1-3H3.
What are the key properties of 5-(cyclopropylmethyl)-N,N,13-trimethyl-5,9,13-triazadispiro[2.2.56.23]tridecane-9-carboxamide?
5-(cyclopropylmethyl)-N,N,13-trimethyl-5,9,13-triazadispiro[2.2.56.23]tridecane-9-carboxamide has a molecular weight of 320.48 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethyl)-N,N,13-trimethyl-5,9,13-triazadispiro[2.2.56.23]tridecane-9-carboxamide is sourced from PubChem (CID 168983528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).