CID 101223364

C16H31N2O — CID 101223364

IUPAC—
SMILESCC(C)[C@@H]1CC[C@@H](C)[C@@]2(CC(N)CC(C)(C)N2[O])C1
InChIInChI=1S/C16H31N2O/c1-11(2)13-7-6-12(3)16(8-13)10-14(17)9-15(4,5)18(16)19/h11-14H,6-10,17H2,1-5H3/t12-,13-,14?,16+/m1/s1
InChIKeyYKKHUXNMIIYSQX-UNCXVQOASA-N
MW267.44 g/mol
LogP3.36
Rot. Bonds1

About CID 101223364

CID 101223364 (PubChem CID 101223364) has the molecular formula C16H31N2O and a molecular weight of 267.44 g/mol.

Molecular Properties

Compound NameCID 101223364
PubChem CID101223364
Molecular FormulaC16H31N2O
Molecular Weight267.44 g/mol
Exact Mass267.24
IUPAC Name—
SMILESCC(C)[C@@H]1CC[C@@H](C)[C@@]2(CC(N)CC(C)(C)N2[O])C1
InChIInChI=1S/C16H31N2O/c1-11(2)13-7-6-12(3)16(8-13)10-14(17)9-15(4,5)18(16)19/h11-14H,6-10,17H2,1-5H3/t12-,13-,14?,16+/m1/s1
InChIKeyYKKHUXNMIIYSQX-UNCXVQOASA-N
XLogP3.36
TPSA49.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of CID 101223364?
The IUPAC name of CID 101223364 (CID 101223364) is not available.
What is the SMILES notation for CID 101223364?
The canonical SMILES for CID 101223364 is CC(C)[C@@H]1CC[C@@H](C)[C@@]2(CC(N)CC(C)(C)N2[O])C1.
What is the InChIKey of CID 101223364?
The InChIKey is YKKHUXNMIIYSQX-UNCXVQOASA-N. The full InChI is InChI=1S/C16H31N2O/c1-11(2)13-7-6-12(3)16(8-13)10-14(17)9-15(4,5)18(16)19/h11-14H,6-10,17H2,1-5H3/t12-,13-,14?,16+/m1/s1.
What are the key properties of CID 101223364?
CID 101223364 has a molecular weight of 267.44 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 101223364 is sourced from PubChem (CID 101223364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).