N-(10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-N,N'-dimethylmethanimidamide

C22H34N2 — CID 143287983

IUPACN-(10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-N,N'-dimethylmethanimidamide
SMILESC/N=C/N(C)C1=CCC2C3CC=C4CCCCC4(C)C3CCC12C
InChIInChI=1S/C22H34N2/c1-21-13-6-5-7-16(21)8-9-17-18-10-11-20(24(4)15-23-3)22(18,2)14-12-19(17)21/h8,11,15,17-19H,5-7,9-10,12-14H2,1-4H3/b23-15+
InChIKeyDOLUOCMOOGHGID-HZHRSRAPSA-N
MW326.53 g/mol
LogP5.42
Rot. Bonds2

About N-(10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-N,N'-dimethylmethanimidamide

N-(10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-N,N'-dimethylmethanimidamide (PubChem CID 143287983) has the molecular formula C22H34N2 and a molecular weight of 326.53 g/mol. Its IUPAC name is N-(10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-N,N'-dimethylmethanimidamide.

Molecular Properties

Compound NameN-(10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-N,N'-dimethylmethanimidamide
PubChem CID143287983
Molecular FormulaC22H34N2
Molecular Weight326.53 g/mol
Exact Mass326.27
IUPAC NameN-(10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-N,N'-dimethylmethanimidamide
SMILESC/N=C/N(C)C1=CCC2C3CC=C4CCCCC4(C)C3CCC12C
InChIInChI=1S/C22H34N2/c1-21-13-6-5-7-16(21)8-9-17-18-10-11-20(24(4)15-23-3)22(18,2)14-12-19(17)21/h8,11,15,17-19H,5-7,9-10,12-14H2,1-4H3/b23-15+
InChIKeyDOLUOCMOOGHGID-HZHRSRAPSA-N
XLogP5.42
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.53
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-N,N'-dimethylmethanimidamide?
The IUPAC name of N-(10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-N,N'-dimethylmethanimidamide (CID 143287983) is N-(10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-N,N'-dimethylmethanimidamide.
What is the SMILES notation for N-(10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-N,N'-dimethylmethanimidamide?
The canonical SMILES for N-(10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-N,N'-dimethylmethanimidamide is C/N=C/N(C)C1=CCC2C3CC=C4CCCCC4(C)C3CCC12C.
What is the InChIKey of N-(10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-N,N'-dimethylmethanimidamide?
The InChIKey is DOLUOCMOOGHGID-HZHRSRAPSA-N. The full InChI is InChI=1S/C22H34N2/c1-21-13-6-5-7-16(21)8-9-17-18-10-11-20(24(4)15-23-3)22(18,2)14-12-19(17)21/h8,11,15,17-19H,5-7,9-10,12-14H2,1-4H3/b23-15+.
What are the key properties of N-(10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-N,N'-dimethylmethanimidamide?
N-(10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-N,N'-dimethylmethanimidamide has a molecular weight of 326.53 g/mol, XLogP of 5.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-N,N'-dimethylmethanimidamide is sourced from PubChem (CID 143287983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).