N,7-dimethyl-8-(2-methylcyclopropyl)-7-propan-2-yl-3,4,4a,4b,5,6,8,8a,9,10-decahydrophenanthren-2-imine

C23H37N — CID 70991671

IUPACN,7-dimethyl-8-(2-methylcyclopropyl)-7-propan-2-yl-3,4,4a,4b,5,6,8,8a,9,10-decahydrophenanthren-2-imine
SMILESC/N=C1/C=C2CCC3C(CCC(C)(C(C)C)C3C3CC3C)C2CC1
InChIInChI=1S/C23H37N/c1-14(2)23(4)11-10-19-18-9-7-17(24-5)13-16(18)6-8-20(19)22(23)21-12-15(21)3/h13-15,18-22H,6-12H2,1-5H3/b24-17+
InChIKeyLAGWOIUBGRMOFG-JJIBRWJFSA-N
MW327.56 g/mol
LogP6.15
Rot. Bonds2

About N,7-dimethyl-8-(2-methylcyclopropyl)-7-propan-2-yl-3,4,4a,4b,5,6,8,8a,9,10-decahydrophenanthren-2-imine

N,7-dimethyl-8-(2-methylcyclopropyl)-7-propan-2-yl-3,4,4a,4b,5,6,8,8a,9,10-decahydrophenanthren-2-imine (PubChem CID 70991671) has the molecular formula C23H37N and a molecular weight of 327.56 g/mol. Its IUPAC name is N,7-dimethyl-8-(2-methylcyclopropyl)-7-propan-2-yl-3,4,4a,4b,5,6,8,8a,9,10-decahydrophenanthren-2-imine.

Molecular Properties

Compound NameN,7-dimethyl-8-(2-methylcyclopropyl)-7-propan-2-yl-3,4,4a,4b,5,6,8,8a,9,10-decahydrophenanthren-2-imine
PubChem CID70991671
Molecular FormulaC23H37N
Molecular Weight327.56 g/mol
Exact Mass327.29
IUPAC NameN,7-dimethyl-8-(2-methylcyclopropyl)-7-propan-2-yl-3,4,4a,4b,5,6,8,8a,9,10-decahydrophenanthren-2-imine
SMILESC/N=C1/C=C2CCC3C(CCC(C)(C(C)C)C3C3CC3C)C2CC1
InChIInChI=1S/C23H37N/c1-14(2)23(4)11-10-19-18-9-7-17(24-5)13-16(18)6-8-20(19)22(23)21-12-15(21)3/h13-15,18-22H,6-12H2,1-5H3/b24-17+
InChIKeyLAGWOIUBGRMOFG-JJIBRWJFSA-N
XLogP6.15
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.56
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,7-dimethyl-8-(2-methylcyclopropyl)-7-propan-2-yl-3,4,4a,4b,5,6,8,8a,9,10-decahydrophenanthren-2-imine?
The IUPAC name of N,7-dimethyl-8-(2-methylcyclopropyl)-7-propan-2-yl-3,4,4a,4b,5,6,8,8a,9,10-decahydrophenanthren-2-imine (CID 70991671) is N,7-dimethyl-8-(2-methylcyclopropyl)-7-propan-2-yl-3,4,4a,4b,5,6,8,8a,9,10-decahydrophenanthren-2-imine.
What is the SMILES notation for N,7-dimethyl-8-(2-methylcyclopropyl)-7-propan-2-yl-3,4,4a,4b,5,6,8,8a,9,10-decahydrophenanthren-2-imine?
The canonical SMILES for N,7-dimethyl-8-(2-methylcyclopropyl)-7-propan-2-yl-3,4,4a,4b,5,6,8,8a,9,10-decahydrophenanthren-2-imine is C/N=C1/C=C2CCC3C(CCC(C)(C(C)C)C3C3CC3C)C2CC1.
What is the InChIKey of N,7-dimethyl-8-(2-methylcyclopropyl)-7-propan-2-yl-3,4,4a,4b,5,6,8,8a,9,10-decahydrophenanthren-2-imine?
The InChIKey is LAGWOIUBGRMOFG-JJIBRWJFSA-N. The full InChI is InChI=1S/C23H37N/c1-14(2)23(4)11-10-19-18-9-7-17(24-5)13-16(18)6-8-20(19)22(23)21-12-15(21)3/h13-15,18-22H,6-12H2,1-5H3/b24-17+.
What are the key properties of N,7-dimethyl-8-(2-methylcyclopropyl)-7-propan-2-yl-3,4,4a,4b,5,6,8,8a,9,10-decahydrophenanthren-2-imine?
N,7-dimethyl-8-(2-methylcyclopropyl)-7-propan-2-yl-3,4,4a,4b,5,6,8,8a,9,10-decahydrophenanthren-2-imine has a molecular weight of 327.56 g/mol, XLogP of 6.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,7-dimethyl-8-(2-methylcyclopropyl)-7-propan-2-yl-3,4,4a,4b,5,6,8,8a,9,10-decahydrophenanthren-2-imine is sourced from PubChem (CID 70991671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).