N,7,7,12,16-pentamethyl-15-[1-(propan-2-ylideneamino)ethyl]tetracyclo[9.7.0.03,8.012,16]octadeca-1,3-dien-6-amine

C28H46N2 — CID 162873388

IUPACN,7,7,12,16-pentamethyl-15-[1-(propan-2-ylideneamino)ethyl]tetracyclo[9.7.0.03,8.012,16]octadeca-1,3-dien-6-amine
SMILESCNC1CC=C2C=C3CCC4(C)C(C(C)N=C(C)C)CCC4(C)C3CCC2C1(C)C
InChIInChI=1S/C28H46N2/c1-18(2)30-19(3)22-14-16-28(7)24-11-10-23-20(9-12-25(29-8)26(23,4)5)17-21(24)13-15-27(22,28)6/h9,17,19,22-25,29H,10-16H2,1-8H3
InChIKeyOGGMJUADVUDJGQ-UHFFFAOYSA-N
MW410.69 g/mol
LogP6.97
Rot. Bonds3

About N,7,7,12,16-pentamethyl-15-[1-(propan-2-ylideneamino)ethyl]tetracyclo[9.7.0.03,8.012,16]octadeca-1,3-dien-6-amine

N,7,7,12,16-pentamethyl-15-[1-(propan-2-ylideneamino)ethyl]tetracyclo[9.7.0.03,8.012,16]octadeca-1,3-dien-6-amine (PubChem CID 162873388) has the molecular formula C28H46N2 and a molecular weight of 410.69 g/mol. Its IUPAC name is N,7,7,12,16-pentamethyl-15-[1-(propan-2-ylideneamino)ethyl]tetracyclo[9.7.0.03,8.012,16]octadeca-1,3-dien-6-amine.

Molecular Properties

Compound NameN,7,7,12,16-pentamethyl-15-[1-(propan-2-ylideneamino)ethyl]tetracyclo[9.7.0.03,8.012,16]octadeca-1,3-dien-6-amine
PubChem CID162873388
Molecular FormulaC28H46N2
Molecular Weight410.69 g/mol
Exact Mass410.37
IUPAC NameN,7,7,12,16-pentamethyl-15-[1-(propan-2-ylideneamino)ethyl]tetracyclo[9.7.0.03,8.012,16]octadeca-1,3-dien-6-amine
SMILESCNC1CC=C2C=C3CCC4(C)C(C(C)N=C(C)C)CCC4(C)C3CCC2C1(C)C
InChIInChI=1S/C28H46N2/c1-18(2)30-19(3)22-14-16-28(7)24-11-10-23-20(9-12-25(29-8)26(23,4)5)17-21(24)13-15-27(22,28)6/h9,17,19,22-25,29H,10-16H2,1-8H3
InChIKeyOGGMJUADVUDJGQ-UHFFFAOYSA-N
XLogP6.97
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.69
LogP ≤ 56.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N,7,7,12,16-pentamethyl-15-[1-(propan-2-ylideneamino)ethyl]tetracyclo[9.7.0.03,8.012,16]octadeca-1,3-dien-6-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,7,7,12,16-pentamethyl-15-[1-(propan-2-ylideneamino)ethyl]tetracyclo[9.7.0.03,8.012,16]octadeca-1,3-dien-6-amine?
The IUPAC name of N,7,7,12,16-pentamethyl-15-[1-(propan-2-ylideneamino)ethyl]tetracyclo[9.7.0.03,8.012,16]octadeca-1,3-dien-6-amine (CID 162873388) is N,7,7,12,16-pentamethyl-15-[1-(propan-2-ylideneamino)ethyl]tetracyclo[9.7.0.03,8.012,16]octadeca-1,3-dien-6-amine.
What is the SMILES notation for N,7,7,12,16-pentamethyl-15-[1-(propan-2-ylideneamino)ethyl]tetracyclo[9.7.0.03,8.012,16]octadeca-1,3-dien-6-amine?
The canonical SMILES for N,7,7,12,16-pentamethyl-15-[1-(propan-2-ylideneamino)ethyl]tetracyclo[9.7.0.03,8.012,16]octadeca-1,3-dien-6-amine is CNC1CC=C2C=C3CCC4(C)C(C(C)N=C(C)C)CCC4(C)C3CCC2C1(C)C.
What is the InChIKey of N,7,7,12,16-pentamethyl-15-[1-(propan-2-ylideneamino)ethyl]tetracyclo[9.7.0.03,8.012,16]octadeca-1,3-dien-6-amine?
The InChIKey is OGGMJUADVUDJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H46N2/c1-18(2)30-19(3)22-14-16-28(7)24-11-10-23-20(9-12-25(29-8)26(23,4)5)17-21(24)13-15-27(22,28)6/h9,17,19,22-25,29H,10-16H2,1-8H3.
What are the key properties of N,7,7,12,16-pentamethyl-15-[1-(propan-2-ylideneamino)ethyl]tetracyclo[9.7.0.03,8.012,16]octadeca-1,3-dien-6-amine?
N,7,7,12,16-pentamethyl-15-[1-(propan-2-ylideneamino)ethyl]tetracyclo[9.7.0.03,8.012,16]octadeca-1,3-dien-6-amine has a molecular weight of 410.69 g/mol, XLogP of 6.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,7,7,12,16-pentamethyl-15-[1-(propan-2-ylideneamino)ethyl]tetracyclo[9.7.0.03,8.012,16]octadeca-1,3-dien-6-amine is sourced from PubChem (CID 162873388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).