N,1-di(propan-2-yl)-4,4a,5,6,7,8,9,10,11,11a-decahydro-3H-cyclonona[b]pyridin-2-imine

C18H34N2 — CID 166733275

IUPACN,1-di(propan-2-yl)-4,4a,5,6,7,8,9,10,11,11a-decahydro-3H-cyclonona[b]pyridin-2-imine
SMILESCC(C)/N=C1\CCC2CCCCCCCC2N1C(C)C
InChIInChI=1S/C18H34N2/c1-14(2)19-18-13-12-16-10-8-6-5-7-9-11-17(16)20(18)15(3)4/h14-17H,5-13H2,1-4H3/b19-18+
InChIKeyWMDDEAKMTHIQHW-VHEBQXMUSA-N
MW278.48 g/mol
LogP5.03
Rot. Bonds2

About N,1-di(propan-2-yl)-4,4a,5,6,7,8,9,10,11,11a-decahydro-3H-cyclonona[b]pyridin-2-imine

N,1-di(propan-2-yl)-4,4a,5,6,7,8,9,10,11,11a-decahydro-3H-cyclonona[b]pyridin-2-imine (PubChem CID 166733275) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is N,1-di(propan-2-yl)-4,4a,5,6,7,8,9,10,11,11a-decahydro-3H-cyclonona[b]pyridin-2-imine.

Molecular Properties

Compound NameN,1-di(propan-2-yl)-4,4a,5,6,7,8,9,10,11,11a-decahydro-3H-cyclonona[b]pyridin-2-imine
PubChem CID166733275
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC NameN,1-di(propan-2-yl)-4,4a,5,6,7,8,9,10,11,11a-decahydro-3H-cyclonona[b]pyridin-2-imine
SMILESCC(C)/N=C1\CCC2CCCCCCCC2N1C(C)C
InChIInChI=1S/C18H34N2/c1-14(2)19-18-13-12-16-10-8-6-5-7-9-11-17(16)20(18)15(3)4/h14-17H,5-13H2,1-4H3/b19-18+
InChIKeyWMDDEAKMTHIQHW-VHEBQXMUSA-N
XLogP5.03
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.48
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N,1-di(propan-2-yl)-4,4a,5,6,7,8,9,10,11,11a-decahydro-3H-cyclonona[b]pyridin-2-imine?
The IUPAC name of N,1-di(propan-2-yl)-4,4a,5,6,7,8,9,10,11,11a-decahydro-3H-cyclonona[b]pyridin-2-imine (CID 166733275) is N,1-di(propan-2-yl)-4,4a,5,6,7,8,9,10,11,11a-decahydro-3H-cyclonona[b]pyridin-2-imine.
What is the SMILES notation for N,1-di(propan-2-yl)-4,4a,5,6,7,8,9,10,11,11a-decahydro-3H-cyclonona[b]pyridin-2-imine?
The canonical SMILES for N,1-di(propan-2-yl)-4,4a,5,6,7,8,9,10,11,11a-decahydro-3H-cyclonona[b]pyridin-2-imine is CC(C)/N=C1\CCC2CCCCCCCC2N1C(C)C.
What is the InChIKey of N,1-di(propan-2-yl)-4,4a,5,6,7,8,9,10,11,11a-decahydro-3H-cyclonona[b]pyridin-2-imine?
The InChIKey is WMDDEAKMTHIQHW-VHEBQXMUSA-N. The full InChI is InChI=1S/C18H34N2/c1-14(2)19-18-13-12-16-10-8-6-5-7-9-11-17(16)20(18)15(3)4/h14-17H,5-13H2,1-4H3/b19-18+.
What are the key properties of N,1-di(propan-2-yl)-4,4a,5,6,7,8,9,10,11,11a-decahydro-3H-cyclonona[b]pyridin-2-imine?
N,1-di(propan-2-yl)-4,4a,5,6,7,8,9,10,11,11a-decahydro-3H-cyclonona[b]pyridin-2-imine has a molecular weight of 278.48 g/mol, XLogP of 5.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-di(propan-2-yl)-4,4a,5,6,7,8,9,10,11,11a-decahydro-3H-cyclonona[b]pyridin-2-imine is sourced from PubChem (CID 166733275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).