1-(3-cyclononylpropyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine

C19H35N3 — CID 126513358

IUPAC1-(3-cyclononylpropyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine
SMILESC1CCCCC(CCCN2CCCN3CCCN=C32)CCC1
InChIInChI=1S/C19H35N3/c1-2-4-6-11-18(10-5-3-1)12-7-14-21-16-9-17-22-15-8-13-20-19(21)22/h18H,1-17H2
InChIKeyJHUITMMNLKSHAL-UHFFFAOYSA-N
MW305.51 g/mol
LogP4.28
Rot. Bonds4

About 1-(3-cyclononylpropyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine

1-(3-cyclononylpropyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine (PubChem CID 126513358) has the molecular formula C19H35N3 and a molecular weight of 305.51 g/mol. Its IUPAC name is 1-(3-cyclononylpropyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine.

Molecular Properties

Compound Name1-(3-cyclononylpropyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine
PubChem CID126513358
Molecular FormulaC19H35N3
Molecular Weight305.51 g/mol
Exact Mass305.28
IUPAC Name1-(3-cyclononylpropyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine
SMILESC1CCCCC(CCCN2CCCN3CCCN=C32)CCC1
InChIInChI=1S/C19H35N3/c1-2-4-6-11-18(10-5-3-1)12-7-14-21-16-9-17-22-15-8-13-20-19(21)22/h18H,1-17H2
InChIKeyJHUITMMNLKSHAL-UHFFFAOYSA-N
XLogP4.28
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.51
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclononylpropyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine?
The IUPAC name of 1-(3-cyclononylpropyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine (CID 126513358) is 1-(3-cyclononylpropyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine.
What is the SMILES notation for 1-(3-cyclononylpropyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine?
The canonical SMILES for 1-(3-cyclononylpropyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine is C1CCCCC(CCCN2CCCN3CCCN=C32)CCC1.
What is the InChIKey of 1-(3-cyclononylpropyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine?
The InChIKey is JHUITMMNLKSHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3/c1-2-4-6-11-18(10-5-3-1)12-7-14-21-16-9-17-22-15-8-13-20-19(21)22/h18H,1-17H2.
What are the key properties of 1-(3-cyclononylpropyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine?
1-(3-cyclononylpropyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine has a molecular weight of 305.51 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclononylpropyl)-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine is sourced from PubChem (CID 126513358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).