CID 23642957

C27H43N — CID 23642957

IUPAC—
SMILESCC(C)c1cccc(C(C)C)c1[N+]1=[C-][C@]2(C[C@H](C)CC[C@H]2C(C)C)CC1(C)C
InChIInChI=1S/C27H43N/c1-18(2)22-11-10-12-23(19(3)4)25(22)28-17-27(16-26(28,8)9)15-21(7)13-14-24(27)20(5)6/h10-12,18-21,24H,13-16H2,1-9H3/t21-,24+,27+/m1/s1
InChIKeyDBVDSFXPIWUKNV-QURRFSBHSA-N
MW381.65 g/mol
LogP7.79
Rot. Bonds4

About CID 23642957

CID 23642957 (PubChem CID 23642957) has the molecular formula C27H43N and a molecular weight of 381.65 g/mol.

Molecular Properties

Compound NameCID 23642957
PubChem CID23642957
Molecular FormulaC27H43N
Molecular Weight381.65 g/mol
Exact Mass381.34
IUPAC Name—
SMILESCC(C)c1cccc(C(C)C)c1[N+]1=[C-][C@]2(C[C@H](C)CC[C@H]2C(C)C)CC1(C)C
InChIInChI=1S/C27H43N/c1-18(2)22-11-10-12-23(19(3)4)25(22)28-17-27(16-26(28,8)9)15-21(7)13-14-24(27)20(5)6/h10-12,18-21,24H,13-16H2,1-9H3/t21-,24+,27+/m1/s1
InChIKeyDBVDSFXPIWUKNV-QURRFSBHSA-N
XLogP7.79
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.65
LogP ≤ 57.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 23642957?
The IUPAC name of CID 23642957 (CID 23642957) is not available.
What is the SMILES notation for CID 23642957?
The canonical SMILES for CID 23642957 is CC(C)c1cccc(C(C)C)c1[N+]1=[C-][C@]2(C[C@H](C)CC[C@H]2C(C)C)CC1(C)C.
What is the InChIKey of CID 23642957?
The InChIKey is DBVDSFXPIWUKNV-QURRFSBHSA-N. The full InChI is InChI=1S/C27H43N/c1-18(2)22-11-10-12-23(19(3)4)25(22)28-17-27(16-26(28,8)9)15-21(7)13-14-24(27)20(5)6/h10-12,18-21,24H,13-16H2,1-9H3/t21-,24+,27+/m1/s1.
What are the key properties of CID 23642957?
CID 23642957 has a molecular weight of 381.65 g/mol, XLogP of 7.79, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23642957 is sourced from PubChem (CID 23642957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).